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

C15H20N4O2S — CID 86771959

IUPAC7a-methyl-5-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)NC1CCc3nccn3C1)CS2
InChIInChI=1S/C15H20N4O2S/c1-15-5-4-13(20)19(15)11(9-22-15)14(21)17-10-2-3-12-16-6-7-18(12)8-10/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,21)
InChIKeySOGIEMALIOTPKM-UHFFFAOYSA-N
MW320.42 g/mol
LogP0.77
Rot. Bonds2

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

7a-methyl-5-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 86771959) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 7a-methyl-5-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name7a-methyl-5-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID86771959
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name7a-methyl-5-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)NC1CCc3nccn3C1)CS2
InChIInChI=1S/C15H20N4O2S/c1-15-5-4-13(20)19(15)11(9-22-15)14(21)17-10-2-3-12-16-6-7-18(12)8-10/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,21)
InChIKeySOGIEMALIOTPKM-UHFFFAOYSA-N
XLogP0.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7a-methyl-5-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-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

Frequently Asked Questions

What is the IUPAC name of 7a-methyl-5-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 7a-methyl-5-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 86771959) is 7a-methyl-5-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 7a-methyl-5-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 7a-methyl-5-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC12CCC(=O)N1C(C(=O)NC1CCc3nccn3C1)CS2.
What is the InChIKey of 7a-methyl-5-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is SOGIEMALIOTPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-15-5-4-13(20)19(15)11(9-22-15)14(21)17-10-2-3-12-16-6-7-18(12)8-10/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,21).
What are the key properties of 7a-methyl-5-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
7a-methyl-5-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-5-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 86771959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).