4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine

C21H23N7O3S2 — CID 138631859

IUPAC4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine
SMILESCOc1cccc(-c2nc3sccn3c2-c2ccnc(NCCN3CCN(C)S3(=O)=O)n2)c1
InChIInChI=1S/C21H23N7O3S2/c1-26-10-11-27(33(26,29)30)9-8-23-20-22-7-6-17(24-20)19-18(25-21-28(19)12-13-32-21)15-4-3-5-16(14-15)31-2/h3-7,12-14H,8-11H2,1-2H3,(H,22,23,24)
InChIKeyWFTAGVVIUQANFH-UHFFFAOYSA-N
MW485.60 g/mol
LogP2.43
Rot. Bonds7

About 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine

4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 138631859) has the molecular formula C21H23N7O3S2 and a molecular weight of 485.60 g/mol. Its IUPAC name is 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine
PubChem CID138631859
Molecular FormulaC21H23N7O3S2
Molecular Weight485.60 g/mol
Exact Mass485.13
IUPAC Name4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine
SMILESCOc1cccc(-c2nc3sccn3c2-c2ccnc(NCCN3CCN(C)S3(=O)=O)n2)c1
InChIInChI=1S/C21H23N7O3S2/c1-26-10-11-27(33(26,29)30)9-8-23-20-22-7-6-17(24-20)19-18(25-21-28(19)12-13-32-21)15-4-3-5-16(14-15)31-2/h3-7,12-14H,8-11H2,1-2H3,(H,22,23,24)
InChIKeyWFTAGVVIUQANFH-UHFFFAOYSA-N
XLogP2.43
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.60
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[3-(benzenesulfonyl)propyl]-4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 158265657
2-fluoro-5-[5-[2-[2-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 146538886
2-chloro-5-[5-[2-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 146538756
N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)pyrimidin-2-amine
CID 138631865
N-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 138607208
5-[5-[2-[2-(6-ethyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]-2-fluorophenol
CID 146538759
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]urea
CID 56933478
N-[2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine
CID 138607181
1-formyl-N-[3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]naphthalene-2-sulfonamide
CID 170319448
4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(3R)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 57463166
4-[6-(4-chloro-3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine
CID 156569613
N-[2-(5-ethyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]-4-[6-(4-fluorocyclohepta-1,3,6-trien-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 156569686

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine (CID 138631859) is 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine is COc1cccc(-c2nc3sccn3c2-c2ccnc(NCCN3CCN(C)S3(=O)=O)n2)c1.
What is the InChIKey of 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is WFTAGVVIUQANFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3S2/c1-26-10-11-27(33(26,29)30)9-8-23-20-22-7-6-17(24-20)19-18(25-21-28(19)12-13-32-21)15-4-3-5-16(14-15)31-2/h3-7,12-14H,8-11H2,1-2H3,(H,22,23,24).
What are the key properties of 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine?
4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 485.60 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[2-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 138631859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).