4-methyl-N-[(2-methylphenyl)methyl]thiadiazole-5-carboxamide

C12H13N3OS — CID 9092937

IUPAC4-methyl-N-[(2-methylphenyl)methyl]thiadiazole-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1snnc1C
InChIInChI=1S/C12H13N3OS/c1-8-5-3-4-6-10(8)7-13-12(16)11-9(2)14-15-17-11/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyROGBOKDUZAIYCF-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.08
Rot. Bonds3

About 4-methyl-N-[(2-methylphenyl)methyl]thiadiazole-5-carboxamide

4-methyl-N-[(2-methylphenyl)methyl]thiadiazole-5-carboxamide (PubChem CID 9092937) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-methyl-N-[(2-methylphenyl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(2-methylphenyl)methyl]thiadiazole-5-carboxamide
PubChem CID9092937
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-methyl-N-[(2-methylphenyl)methyl]thiadiazole-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1snnc1C
InChIInChI=1S/C12H13N3OS/c1-8-5-3-4-6-10(8)7-13-12(16)11-9(2)14-15-17-11/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyROGBOKDUZAIYCF-UHFFFAOYSA-N
XLogP2.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-6-fluoro-phenyl)methyl]-4-methyl-thiadiazole-5-carboxamide
CID 332921
N,N-dimethyl-4-phenyl-1,2,3-thiadiazole-5-carboxamide
CID 2767922
N-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 25190348
N-methyl-4-phenyl-1,2,3-thiadiazole-5-carboxamide
CID 3715739
N-benzyl-N-isopropyl-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 2813487
4-methyl-N-(1-phenylethyl)-1,2,3-thiadiazole-5-carboxamide
CID 6916146
N-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 6917368
N-[(2-chloro-6-fluorophenyl)methyl]-4-propylthiadiazole-5-carboxamide
CID 6917377
4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 25189476
N-[(2-chloro-6-methylphenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide
CID 25189477
4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide
CID 25190406
N-allyl-4-phenyl-1,2,3-thiadiazole-5-carboxamide
CID 2765918

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methylphenyl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(2-methylphenyl)methyl]thiadiazole-5-carboxamide (CID 9092937) is 4-methyl-N-[(2-methylphenyl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(2-methylphenyl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(2-methylphenyl)methyl]thiadiazole-5-carboxamide is Cc1ccccc1CNC(=O)c1snnc1C.
What is the InChIKey of 4-methyl-N-[(2-methylphenyl)methyl]thiadiazole-5-carboxamide?
The InChIKey is ROGBOKDUZAIYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-5-3-4-6-10(8)7-13-12(16)11-9(2)14-15-17-11/h3-6H,7H2,1-2H3,(H,13,16).
What are the key properties of 4-methyl-N-[(2-methylphenyl)methyl]thiadiazole-5-carboxamide?
4-methyl-N-[(2-methylphenyl)methyl]thiadiazole-5-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methylphenyl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 9092937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).