(3S,7aR)-7a-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C22H22N4O2S — CID 51922958

IUPAC(3S,7aR)-7a-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1cccn2c(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)c(-c3ccccc3)nc12
InChIInChI=1S/C22H22N4O2S/c1-14-7-6-12-25-19(14)23-18(15-8-4-3-5-9-15)20(25)24-21(28)16-13-29-22(2)11-10-17(27)26(16)22/h3-9,12,16H,10-11,13H2,1-2H3,(H,24,28)/t16-,22-/m1/s1
InChIKeyYYGMZWFYWBRGKH-OPAMFIHVSA-N
MW406.51 g/mol
LogP3.70
Rot. Bonds3

About (3S,7aR)-7a-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

(3S,7aR)-7a-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 51922958) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is (3S,7aR)-7a-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name(3S,7aR)-7a-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID51922958
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name(3S,7aR)-7a-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1cccn2c(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)c(-c3ccccc3)nc12
InChIInChI=1S/C22H22N4O2S/c1-14-7-6-12-25-19(14)23-18(15-8-4-3-5-9-15)20(25)24-21(28)16-13-29-22(2)11-10-17(27)26(16)22/h3-9,12,16H,10-11,13H2,1-2H3,(H,24,28)/t16-,22-/m1/s1
InChIKeyYYGMZWFYWBRGKH-OPAMFIHVSA-N
XLogP3.70
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,7aR)-7a-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,7aS)-7a-methyl-5-oxo-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 39966433
7a-methyl-5-oxo-N-(4-phenylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 51155666
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohexanecarboxamide
CID 18282898
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55494966
(3R,7aS)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 51535684
7a-methyl-N-[(2-methylphenyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 43024937
7a-methyl-N-naphthalen-2-yl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 78776661
(3R)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)oxolane-3-carboxamide
CID 95272020
(3R,7aS)-7a-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 41291428
(3R,7aS)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 8780710
7a-methyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 55344921
7a-methyl-5-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 86991780

Frequently Asked Questions

What is the IUPAC name of (3S,7aR)-7a-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of (3S,7aR)-7a-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 51922958) is (3S,7aR)-7a-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for (3S,7aR)-7a-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for (3S,7aR)-7a-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is Cc1cccn2c(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)c(-c3ccccc3)nc12.
What is the InChIKey of (3S,7aR)-7a-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is YYGMZWFYWBRGKH-OPAMFIHVSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-14-7-6-12-25-19(14)23-18(15-8-4-3-5-9-15)20(25)24-21(28)16-13-29-22(2)11-10-17(27)26(16)22/h3-9,12,16H,10-11,13H2,1-2H3,(H,24,28)/t16-,22-/m1/s1.
What are the key properties of (3S,7aR)-7a-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
(3S,7aR)-7a-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7aR)-7a-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 51922958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).