N-methyl-4-phenylthiadiazole-5-carboxamide

C10H9N3OS — CID 3715739

IUPACN-methyl-4-phenylthiadiazole-5-carboxamide
SMILESCNC(=O)c1snnc1-c1ccccc1
InChIInChI=1S/C10H9N3OS/c1-11-10(14)9-8(12-13-15-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,14)
InChIKeyJWZDFTGTHXYIRY-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.56
Rot. Bonds2

About N-methyl-4-phenylthiadiazole-5-carboxamide

N-methyl-4-phenylthiadiazole-5-carboxamide (PubChem CID 3715739) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is N-methyl-4-phenylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-4-phenylthiadiazole-5-carboxamide
PubChem CID3715739
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC NameN-methyl-4-phenylthiadiazole-5-carboxamide
SMILESCNC(=O)c1snnc1-c1ccccc1
InChIInChI=1S/C10H9N3OS/c1-11-10(14)9-8(12-13-15-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,14)
InChIKeyJWZDFTGTHXYIRY-UHFFFAOYSA-N
XLogP1.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Morpholino(4-phenyl-1,2,3-thiadiazol-5-yl)methanone
CID 2767921
N,N-dimethyl-4-phenyl-1,2,3-thiadiazole-5-carboxamide
CID 2767922
4-Phenyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2776856
4-Phenylthiadiazole-5-carboxamide
CID 2804329
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
4-cyclopropyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 25189476
4-cyclopropyl-N-[(2,6-difluorophenyl)methyl]thiadiazole-5-carboxamide
CID 25190406
N-allyl-4-phenyl-1,2,3-thiadiazole-5-carboxamide
CID 2765918
N-(4-fluorobenzyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 7293423
4-Methyl-N-[(2-methylphenyl)methyl]-1,2,3-thiadiazole-5-carboxamide
CID 9092937

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenylthiadiazole-5-carboxamide?
The IUPAC name of N-methyl-4-phenylthiadiazole-5-carboxamide (CID 3715739) is N-methyl-4-phenylthiadiazole-5-carboxamide.
What is the SMILES notation for N-methyl-4-phenylthiadiazole-5-carboxamide?
The canonical SMILES for N-methyl-4-phenylthiadiazole-5-carboxamide is CNC(=O)c1snnc1-c1ccccc1.
What is the InChIKey of N-methyl-4-phenylthiadiazole-5-carboxamide?
The InChIKey is JWZDFTGTHXYIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-11-10(14)9-8(12-13-15-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,14).
What are the key properties of N-methyl-4-phenylthiadiazole-5-carboxamide?
N-methyl-4-phenylthiadiazole-5-carboxamide has a molecular weight of 219.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenylthiadiazole-5-carboxamide is sourced from PubChem (CID 3715739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).