3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2-methylphenyl)benzamide

C17H16N4OS2 — CID 141362947

IUPAC3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1cccc(CSc2nnc(N)s2)c1
InChIInChI=1S/C17H16N4OS2/c1-11-5-2-3-8-14(11)19-15(22)13-7-4-6-12(9-13)10-23-17-21-20-16(18)24-17/h2-9H,10H2,1H3,(H2,18,20)(H,19,22)
InChIKeyBLMJEWRAUVXXBS-UHFFFAOYSA-N
MW356.48 g/mol
LogP3.97
Rot. Bonds5

About 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2-methylphenyl)benzamide

3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2-methylphenyl)benzamide (PubChem CID 141362947) has the molecular formula C17H16N4OS2 and a molecular weight of 356.48 g/mol. Its IUPAC name is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2-methylphenyl)benzamide
PubChem CID141362947
Molecular FormulaC17H16N4OS2
Molecular Weight356.48 g/mol
Exact Mass356.08
IUPAC Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1cccc(CSc2nnc(N)s2)c1
InChIInChI=1S/C17H16N4OS2/c1-11-5-2-3-8-14(11)19-15(22)13-7-4-6-12(9-13)10-23-17-21-20-16(18)24-17/h2-9H,10H2,1H3,(H2,18,20)(H,19,22)
InChIKeyBLMJEWRAUVXXBS-UHFFFAOYSA-N
XLogP3.97
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2-methylphenyl)benzamide 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-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2,4-dimethylphenyl)benzamide
CID 980257
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenylbenzamide
CID 7760139
3-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2,3-dimethylphenyl)benzamide
CID 166451859
N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide
CID 4108112
3-chloro-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 18864455
methyl 3-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
CID 55755780
N-[5-[(3-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide
CID 44957852
N-(2,6-dimethylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide
CID 39368879
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-bromobenzamide
CID 7742213
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055274
N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide
CID 4081988

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2-methylphenyl)benzamide?
The IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2-methylphenyl)benzamide (CID 141362947) is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1cccc(CSc2nnc(N)s2)c1.
What is the InChIKey of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2-methylphenyl)benzamide?
The InChIKey is BLMJEWRAUVXXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS2/c1-11-5-2-3-8-14(11)19-15(22)13-7-4-6-12(9-13)10-23-17-21-20-16(18)24-17/h2-9H,10H2,1H3,(H2,18,20)(H,19,22).
What are the key properties of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2-methylphenyl)benzamide?
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2-methylphenyl)benzamide has a molecular weight of 356.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 141362947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).