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

C10H10ClN3OS2 — CID 80625427

IUPAC5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H10ClN3OS2/c1-6-3-4-16-7(6)5-14(2)9(15)8-12-13-10(11)17-8/h3-4H,5H2,1-2H3
InChIKeyIICSKFHKCVQDSM-UHFFFAOYSA-N
MW287.80 g/mol
LogP2.83
Rot. Bonds3

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

5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625427) has the molecular formula C10H10ClN3OS2 and a molecular weight of 287.80 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625427
Molecular FormulaC10H10ClN3OS2
Molecular Weight287.80 g/mol
Exact Mass287.00
IUPAC Name5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H10ClN3OS2/c1-6-3-4-16-7(6)5-14(2)9(15)8-12-13-10(11)17-8/h3-4H,5H2,1-2H3
InChIKeyIICSKFHKCVQDSM-UHFFFAOYSA-N
XLogP2.83
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.80
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-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-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625597
4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 60651279
4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 61106846
5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625900
5-chloro-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625917
2,5-dichloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114917417
N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 78798582
1-(4-chlorophenyl)-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 78818722
2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoic acid
CID 60953427
3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 113460696
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 62787544
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 80625427) is 5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is Cc1ccsc1CN(C)C(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is IICSKFHKCVQDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS2/c1-6-3-4-16-7(6)5-14(2)9(15)8-12-13-10(11)17-8/h3-4H,5H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 287.80 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).