4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide

C14H11N3O2S3 — CID 121131639

IUPAC4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1ccc(C(=O)c2cccs2)s1
InChIInChI=1S/C14H11N3O2S3/c1-8-13(22-17-16-8)14(19)15-7-9-4-5-11(21-9)12(18)10-3-2-6-20-10/h2-6H,7H2,1H3,(H,15,19)
InChIKeyKYAISFWZNXTCQH-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.13
Rot. Bonds5

About 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide

4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 121131639) has the molecular formula C14H11N3O2S3 and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide
PubChem CID121131639
Molecular FormulaC14H11N3O2S3
Molecular Weight349.46 g/mol
Exact Mass349.00
IUPAC Name4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1ccc(C(=O)c2cccs2)s1
InChIInChI=1S/C14H11N3O2S3/c1-8-13(22-17-16-8)14(19)15-7-9-4-5-11(21-9)12(18)10-3-2-6-20-10/h2-6H,7H2,1H3,(H,15,19)
InChIKeyKYAISFWZNXTCQH-UHFFFAOYSA-N
XLogP3.13
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-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

3,5-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131645
3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 71803337
3,4-dimethoxy-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131693
2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide
CID 121131670
3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131635
4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 2738819
2-(4-phenylphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide
CID 121131732
N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 71803346
N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide
CID 7576752
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiadiazole-5-carboxamide
CID 71782349
1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea
CID 121131918
4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide
CID 71797383

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide (CID 121131639) is 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCc1ccc(C(=O)c2cccs2)s1.
What is the InChIKey of 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is KYAISFWZNXTCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S3/c1-8-13(22-17-16-8)14(19)15-7-9-4-5-11(21-9)12(18)10-3-2-6-20-10/h2-6H,7H2,1H3,(H,15,19).
What are the key properties of 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide?
4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 121131639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).