N-[6-(1,3-benzothiazol-2-ylsulfanyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(2-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-2-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
C90H70ClN37S11 — CID 158847582
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[6-(1,3-benzothiazol-2-ylsulfanyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(2-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-2-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCSc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C)ns2)n1.Cc1cc(Nc2nc(Sc3ccccc3)cn3c(-c4cn[nH]c4)cnc23)sn1.Cc1cc(Nc2nc(Sc3ccccc3Cl)cn3c(-c4cn[nH]c4)cnc23)sn1.Cc1cc(Nc2nc(Sc3ccccn3)cn3c(-c4cn[nH]c4)cnc23)sn1.Cc1cc(Nc2nc(Sc3nc4ccccc4s3)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C20H14N8S3.C19H14ClN7S2.C19H15N7S2.C18H14N8S2.C14H13N7S2/c1-11-6-16(31-27-11)25-18-19-21-9-14(12-7-22-23-8-12)28(19)10-17(26-18)30-20-24-13-4-2-3-5-15(13)29-20;1-11-6-16(29-26-11)24-18-19-21-9-14(12-7-22-23-8-12)27(19)10-17(25-18)28-15-5-3-2-4-13(15)20;1-12-7-16(28-25-12)23-18-19-20-10-15(13-8-21-22-9-13)26(19)11-17(24-18)27-14-5-3-2-4-6-14;1-11-6-15(28-25-11)23-17-18-20-9-13(12-7-21-22-8-12)26(18)10-16(24-17)27-14-4-2-3-5-19-14;1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h2-10H,1H3,(H,22,23)(H,25,26);2-10H,1H3,(H,22,23)(H,24,25);2-11H,1H3,(H,21,22)(H,23,24);2-10H,1H3,(H,21,22)(H,23,24);3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyIZAMFAMDGCFCEY-UHFFFAOYSA-N
MW2058.00 g/mol
LogP23.12
Rot. Bonds24
About N-[6-(1,3-benzothiazol-2-ylsulfanyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(2-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-2-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
N-[6-(1,3-benzothiazol-2-ylsulfanyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(2-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-2-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 158847582) has the molecular formula C90H70ClN37S11 and a molecular weight of 2058.00 g/mol. Its IUPAC name is N-[6-(1,3-benzothiazol-2-ylsulfanyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(2-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-2-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
Molecular Properties
| Compound Name | N-[6-(1,3-benzothiazol-2-ylsulfanyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(2-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-2-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine |
|---|---|
| PubChem CID | 158847582 |
| Molecular Formula | C90H70ClN37S11 |
| Molecular Weight | 2058.00 g/mol |
| Exact Mass | 2055.32 |
| IUPAC Name | N-[6-(1,3-benzothiazol-2-ylsulfanyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(2-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-2-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine |
| SMILES | CSc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C)ns2)n1.Cc1cc(Nc2nc(Sc3ccccc3)cn3c(-c4cn[nH]c4)cnc23)sn1.Cc1cc(Nc2nc(Sc3ccccc3Cl)cn3c(-c4cn[nH]c4)cnc23)sn1.Cc1cc(Nc2nc(Sc3ccccn3)cn3c(-c4cn[nH]c4)cnc23)sn1.Cc1cc(Nc2nc(Sc3nc4ccccc4s3)cn3c(-c4cn[nH]c4)cnc23)sn1 |
| InChI | InChI=1S/C20H14N8S3.C19H14ClN7S2.C19H15N7S2.C18H14N8S2.C14H13N7S2/c1-11-6-16(31-27-11)25-18-19-21-9-14(12-7-22-23-8-12)28(19)10-17(26-18)30-20-24-13-4-2-3-5-15(13)29-20;1-11-6-16(29-26-11)24-18-19-21-9-14(12-7-22-23-8-12)27(19)10-17(25-18)28-15-5-3-2-4-13(15)20;1-12-7-16(28-25-12)23-18-19-20-10-15(13-8-21-22-9-13)26(19)11-17(24-18)27-14-5-3-2-4-6-14;1-11-6-15(28-25-11)23-17-18-20-9-13(12-7-21-22-8-12)26(18)10-16(24-17)27-14-4-2-3-5-19-14;1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h2-10H,1H3,(H,22,23)(H,25,26);2-10H,1H3,(H,22,23)(H,24,25);2-11H,1H3,(H,21,22)(H,23,24);2-10H,1H3,(H,21,22)(H,23,24);3-7H,1-2H3,(H,16,17)(H,18,19) |
| InChIKey | IZAMFAMDGCFCEY-UHFFFAOYSA-N |
| XLogP | 23.12 |
| TPSA | 444.73 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 139 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2058.00 |
| LogP ≤ 5 | 23.12 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 43 |
Frequently Asked Questions
What is the IUPAC name of N-[6-(1,3-benzothiazol-2-ylsulfanyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(2-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-2-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of N-[6-(1,3-benzothiazol-2-ylsulfanyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(2-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-2-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 158847582) is N-[6-(1,3-benzothiazol-2-ylsulfanyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(2-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-2-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for N-[6-(1,3-benzothiazol-2-ylsulfanyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(2-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-2-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for N-[6-(1,3-benzothiazol-2-ylsulfanyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(2-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-2-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is CSc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C)ns2)n1.Cc1cc(Nc2nc(Sc3ccccc3)cn3c(-c4cn[nH]c4)cnc23)sn1.Cc1cc(Nc2nc(Sc3ccccc3Cl)cn3c(-c4cn[nH]c4)cnc23)sn1.Cc1cc(Nc2nc(Sc3ccccn3)cn3c(-c4cn[nH]c4)cnc23)sn1.Cc1cc(Nc2nc(Sc3nc4ccccc4s3)cn3c(-c4cn[nH]c4)cnc23)sn1.
What is the InChIKey of N-[6-(1,3-benzothiazol-2-ylsulfanyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(2-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-2-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is IZAMFAMDGCFCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N8S3.C19H14ClN7S2.C19H15N7S2.C18H14N8S2.C14H13N7S2/c1-11-6-16(31-27-11)25-18-19-21-9-14(12-7-22-23-8-12)28(19)10-17(26-18)30-20-24-13-4-2-3-5-15(13)29-20;1-11-6-16(29-26-11)24-18-19-21-9-14(12-7-22-23-8-12)27(19)10-17(25-18)28-15-5-3-2-4-13(15)20;1-12-7-16(28-25-12)23-18-19-20-10-15(13-8-21-22-9-13)26(19)11-17(24-18)27-14-5-3-2-4-6-14;1-11-6-15(28-25-11)23-17-18-20-9-13(12-7-21-22-8-12)26(18)10-16(24-17)27-14-4-2-3-5-19-14;1-8-3-11(23-20-8)18-13-14-15-6-10(9-4-16-17-5-9)21(14)7-12(19-13)22-2/h2-10H,1H3,(H,22,23)(H,25,26);2-10H,1H3,(H,22,23)(H,24,25);2-11H,1H3,(H,21,22)(H,23,24);2-10H,1H3,(H,21,22)(H,23,24);3-7H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N-[6-(1,3-benzothiazol-2-ylsulfanyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(2-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-2-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
N-[6-(1,3-benzothiazol-2-ylsulfanyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(2-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-2-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 2058.00 g/mol, XLogP of 23.12, 24 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,3-benzothiazol-2-ylsulfanyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;N-[6-(2-chlorophenyl)sulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[6-methylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[6-phenylsulfanyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-methyl-N-[3-(1H-pyrazol-4-yl)-6-pyridin-2-ylsulfanylimidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 158847582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158847582 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.