7a-methyl-5-oxo-N-(2-thiophen-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C18H18N2O2S2 — CID 51287062

IUPAC7a-methyl-5-oxo-N-(2-thiophen-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1ccccc1-c1cccs1)CS2
InChIInChI=1S/C18H18N2O2S2/c1-18-9-8-16(21)20(18)14(11-24-18)17(22)19-13-6-3-2-5-12(13)15-7-4-10-23-15/h2-7,10,14H,8-9,11H2,1H3,(H,19,22)
InChIKeyBVOJSAMCLCTYNX-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.81
Rot. Bonds3

About 7a-methyl-5-oxo-N-(2-thiophen-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

7a-methyl-5-oxo-N-(2-thiophen-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 51287062) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 7a-methyl-5-oxo-N-(2-thiophen-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name7a-methyl-5-oxo-N-(2-thiophen-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID51287062
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name7a-methyl-5-oxo-N-(2-thiophen-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1ccccc1-c1cccs1)CS2
InChIInChI=1S/C18H18N2O2S2/c1-18-9-8-16(21)20(18)14(11-24-18)17(22)19-13-6-3-2-5-12(13)15-7-4-10-23-15/h2-7,10,14H,8-9,11H2,1H3,(H,19,22)
InChIKeyBVOJSAMCLCTYNX-UHFFFAOYSA-N
XLogP3.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7a-methyl-5-oxo-N-(2-thiophen-2-ylphenyl)-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-(2-thiophen-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 7a-methyl-5-oxo-N-(2-thiophen-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 51287062) is 7a-methyl-5-oxo-N-(2-thiophen-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 7a-methyl-5-oxo-N-(2-thiophen-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 7a-methyl-5-oxo-N-(2-thiophen-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC12CCC(=O)N1C(C(=O)Nc1ccccc1-c1cccs1)CS2.
What is the InChIKey of 7a-methyl-5-oxo-N-(2-thiophen-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is BVOJSAMCLCTYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-18-9-8-16(21)20(18)14(11-24-18)17(22)19-13-6-3-2-5-12(13)15-7-4-10-23-15/h2-7,10,14H,8-9,11H2,1H3,(H,19,22).
What are the key properties of 7a-methyl-5-oxo-N-(2-thiophen-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
7a-methyl-5-oxo-N-(2-thiophen-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-5-oxo-N-(2-thiophen-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 51287062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).