5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide

C18H19N3OS2 — CID 57081749

IUPAC5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2nnc(C(=O)NCc3cccs3)s2)cc1
InChIInChI=1S/C18H19N3OS2/c1-18(2,3)13-8-6-12(7-9-13)16-20-21-17(24-16)15(22)19-11-14-5-4-10-23-14/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyFYLKZKQPWXJEHI-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.49
Rot. Bonds4

About 5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide

5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 57081749) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID57081749
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC Name5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2nnc(C(=O)NCc3cccs3)s2)cc1
InChIInChI=1S/C18H19N3OS2/c1-18(2,3)13-8-6-12(7-9-13)16-20-21-17(24-16)15(22)19-11-14-5-4-10-23-14/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyFYLKZKQPWXJEHI-UHFFFAOYSA-N
XLogP4.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-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

5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615369
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide
CID 134030447
N-(thiophen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 57303116
1-(4-tert-butylphenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2105931
N-[(4-tert-butylphenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 172709806
2-[[[2-(4-tert-butylphenyl)ethylamino]-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364482
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 1246126
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696608
5-phenyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide
CID 57052620
2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 78806113

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (CID 57081749) is 5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is CC(C)(C)c1ccc(-c2nnc(C(=O)NCc3cccs3)s2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is FYLKZKQPWXJEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-18(2,3)13-8-6-12(7-9-13)16-20-21-17(24-16)15(22)19-11-14-5-4-10-23-14/h4-10H,11H2,1-3H3,(H,19,22).
What are the key properties of 5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 57081749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).