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

C19H21N3O2S2 — CID 16546198

IUPAC7a-methyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccc(Cn2ccs/c2=N\C(=O)C2CSC3(C)CCC(=O)N23)cc1
InChIInChI=1S/C19H21N3O2S2/c1-13-3-5-14(6-4-13)11-21-9-10-25-18(21)20-17(24)15-12-26-19(2)8-7-16(23)22(15)19/h3-6,9-10,15H,7-8,11-12H2,1-2H3/b20-18-
InChIKeyVROFDQAZERRLBW-ZZEZOPTASA-N
MW387.53 g/mol
LogP2.79
Rot. Bonds3

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

7a-methyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 16546198) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 7a-methyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name7a-methyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID16546198
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC Name7a-methyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccc(Cn2ccs/c2=N\C(=O)C2CSC3(C)CCC(=O)N23)cc1
InChIInChI=1S/C19H21N3O2S2/c1-13-3-5-14(6-4-13)11-21-9-10-25-18(21)20-17(24)15-12-26-19(2)8-7-16(23)22(15)19/h3-6,9-10,15H,7-8,11-12H2,1-2H3/b20-18-
InChIKeyVROFDQAZERRLBW-ZZEZOPTASA-N
XLogP2.79
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7a-methyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-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

Frequently Asked Questions

What is the IUPAC name of 7a-methyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 7a-methyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 16546198) is 7a-methyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 7a-methyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 7a-methyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is Cc1ccc(Cn2ccs/c2=N\C(=O)C2CSC3(C)CCC(=O)N23)cc1.
What is the InChIKey of 7a-methyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is VROFDQAZERRLBW-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-13-3-5-14(6-4-13)11-21-9-10-25-18(21)20-17(24)15-12-26-19(2)8-7-16(23)22(15)19/h3-6,9-10,15H,7-8,11-12H2,1-2H3/b20-18-.
What are the key properties of 7a-methyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
7a-methyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 16546198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).