7a-methyl-5-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C17H17N3O2S2 — CID 17405550

IUPAC7a-methyl-5-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1ccc(-c3nccs3)cc1)CS2
InChIInChI=1S/C17H17N3O2S2/c1-17-7-6-14(21)20(17)13(10-24-17)15(22)19-12-4-2-11(3-5-12)16-18-8-9-23-16/h2-5,8-9,13H,6-7,10H2,1H3,(H,19,22)
InChIKeyGBPNLBYVOWSLMK-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.20
Rot. Bonds3

About 7a-methyl-5-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

7a-methyl-5-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 17405550) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 7a-methyl-5-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name7a-methyl-5-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID17405550
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name7a-methyl-5-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1ccc(-c3nccs3)cc1)CS2
InChIInChI=1S/C17H17N3O2S2/c1-17-7-6-14(21)20(17)13(10-24-17)15(22)19-12-4-2-11(3-5-12)16-18-8-9-23-16/h2-5,8-9,13H,6-7,10H2,1H3,(H,19,22)
InChIKeyGBPNLBYVOWSLMK-UHFFFAOYSA-N
XLogP3.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7a-methyl-5-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-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-[4-(1,3-thiazol-2-yl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 7a-methyl-5-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 17405550) is 7a-methyl-5-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 7a-methyl-5-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 7a-methyl-5-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC12CCC(=O)N1C(C(=O)Nc1ccc(-c3nccs3)cc1)CS2.
What is the InChIKey of 7a-methyl-5-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is GBPNLBYVOWSLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-17-7-6-14(21)20(17)13(10-24-17)15(22)19-12-4-2-11(3-5-12)16-18-8-9-23-16/h2-5,8-9,13H,6-7,10H2,1H3,(H,19,22).
What are the key properties of 7a-methyl-5-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
7a-methyl-5-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 359.48 g/mol, XLogP of 3.20, 3 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-[4-(1,3-thiazol-2-yl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 17405550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).