4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide

C12H10N4OS3 — CID 2738819

IUPAC4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1csc(-c2cccs2)n1
InChIInChI=1S/C12H10N4OS3/c1-7-10(20-16-15-7)11(17)13-5-8-6-19-12(14-8)9-3-2-4-18-9/h2-4,6H,5H2,1H3,(H,13,17)
InChIKeyRRSJKFAOQQMASE-UHFFFAOYSA-N
MW322.44 g/mol
LogP2.96
Rot. Bonds4

About 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide

4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 2738819) has the molecular formula C12H10N4OS3 and a molecular weight of 322.44 g/mol. Its IUPAC name is 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
PubChem CID2738819
Molecular FormulaC12H10N4OS3
Molecular Weight322.44 g/mol
Exact Mass322.00
IUPAC Name4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1csc(-c2cccs2)n1
InChIInChI=1S/C12H10N4OS3/c1-7-10(20-16-15-7)11(17)13-5-8-6-19-12(14-8)9-3-2-4-18-9/h2-4,6H,5H2,1H3,(H,13,17)
InChIKeyRRSJKFAOQQMASE-UHFFFAOYSA-N
XLogP2.96
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-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

4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide
CID 71797383
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 95749634
N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 71797450
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiadiazole-5-carboxamide
CID 71782349
1-(1-hydroxy-2-methylpropan-2-yl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 121495515
4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 24668930
3,5-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7694033
3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7694174
4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide
CID 121131639
N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide
CID 7576752
N-[2-(methylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119503651
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 2738811

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide (CID 2738819) is 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCc1csc(-c2cccs2)n1.
What is the InChIKey of 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is RRSJKFAOQQMASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS3/c1-7-10(20-16-15-7)11(17)13-5-8-6-19-12(14-8)9-3-2-4-18-9/h2-4,6H,5H2,1H3,(H,13,17).
What are the key properties of 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide?
4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 322.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 2738819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).