N-[6-(3-chlorophenyl)sulfanyl-3-(4,5-dihydro-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

C19H16ClN7S2 — CID 71024032

IUPACN-[6-(3-chlorophenyl)sulfanyl-3-(4,5-dihydro-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(Sc3cccc(Cl)c3)cn3c(C4C=NNC4)cnc23)sn1
InChIInChI=1S/C19H16ClN7S2/c1-11-5-16(29-26-11)24-18-19-21-9-15(12-7-22-23-8-12)27(19)10-17(25-18)28-14-4-2-3-13(20)6-14/h2-7,9-10,12,23H,8H2,1H3,(H,24,25)
InChIKeyKCWBZDVCOIXCHY-UHFFFAOYSA-N
MW441.97 g/mol
LogP4.72
Rot. Bonds5

About N-[6-(3-chlorophenyl)sulfanyl-3-(4,5-dihydro-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

N-[6-(3-chlorophenyl)sulfanyl-3-(4,5-dihydro-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 71024032) has the molecular formula C19H16ClN7S2 and a molecular weight of 441.97 g/mol. Its IUPAC name is N-[6-(3-chlorophenyl)sulfanyl-3-(4,5-dihydro-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[6-(3-chlorophenyl)sulfanyl-3-(4,5-dihydro-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID71024032
Molecular FormulaC19H16ClN7S2
Molecular Weight441.97 g/mol
Exact Mass441.06
IUPAC NameN-[6-(3-chlorophenyl)sulfanyl-3-(4,5-dihydro-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(Sc3cccc(Cl)c3)cn3c(C4C=NNC4)cnc23)sn1
InChIInChI=1S/C19H16ClN7S2/c1-11-5-16(29-26-11)24-18-19-21-9-15(12-7-22-23-8-12)27(19)10-17(25-18)28-14-4-2-3-13(20)6-14/h2-7,9-10,12,23H,8H2,1H3,(H,24,25)
InChIKeyKCWBZDVCOIXCHY-UHFFFAOYSA-N
XLogP4.72
TPSA79.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.97
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[6-(3-chlorophenyl)sulfanyl-3-(4,5-dihydro-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chlorophenyl)sulfanyl-3-(4,5-dihydro-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[6-(3-chlorophenyl)sulfanyl-3-(4,5-dihydro-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (CID 71024032) is N-[6-(3-chlorophenyl)sulfanyl-3-(4,5-dihydro-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[6-(3-chlorophenyl)sulfanyl-3-(4,5-dihydro-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[6-(3-chlorophenyl)sulfanyl-3-(4,5-dihydro-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2nc(Sc3cccc(Cl)c3)cn3c(C4C=NNC4)cnc23)sn1.
What is the InChIKey of N-[6-(3-chlorophenyl)sulfanyl-3-(4,5-dihydro-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is KCWBZDVCOIXCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN7S2/c1-11-5-16(29-26-11)24-18-19-21-9-15(12-7-22-23-8-12)27(19)10-17(25-18)28-14-4-2-3-13(20)6-14/h2-7,9-10,12,23H,8H2,1H3,(H,24,25).
What are the key properties of N-[6-(3-chlorophenyl)sulfanyl-3-(4,5-dihydro-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
N-[6-(3-chlorophenyl)sulfanyl-3-(4,5-dihydro-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 441.97 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chlorophenyl)sulfanyl-3-(4,5-dihydro-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 71024032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).