4-methyl-N-phenylthiadiazole-5-carboxamide

C10H9N3OS — CID 728526

IUPAC4-methyl-N-phenylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccccc1
InChIInChI=1S/C10H9N3OS/c1-7-9(15-13-12-7)10(14)11-8-5-3-2-4-6-8/h2-6H,1H3,(H,11,14)
InChIKeyIYKDYRRWHMXJLW-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.10
Rot. Bonds2

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

4-methyl-N-phenylthiadiazole-5-carboxamide (PubChem CID 728526) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 4-methyl-N-phenylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-phenylthiadiazole-5-carboxamide
PubChem CID728526
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name4-methyl-N-phenylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccccc1
InChIInChI=1S/C10H9N3OS/c1-7-9(15-13-12-7)10(14)11-8-5-3-2-4-6-8/h2-6H,1H3,(H,11,14)
InChIKeyIYKDYRRWHMXJLW-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 728524
[4-(4-Fluorophenyl)piperazino](4-methyl-1,2,3-thiadiazol-5-yl)methanone
CID 2812820
2-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-N-phenyl-1-hydrazinecarboxamide
CID 1491465
N-(2-chlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 658031
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,2,3-thiadiazole-5-carboxamide
CID 850235
N-(4-chlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850802
5-(N-phenylamino)-1,2,3-thiadiazole-4-carboxamide
CID 5148325
N-(2,3-dichlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850803
N-(2,4-dichlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 1484240
N-[4-(1,2,3-thiadiazol-4-ylcarbonylamino)phenyl]acetamide
CID 16015191
N-(2,5-dichlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850862
N-[3,5-bis(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 2804290

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenylthiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-phenylthiadiazole-5-carboxamide (CID 728526) is 4-methyl-N-phenylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-phenylthiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-phenylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-N-phenylthiadiazole-5-carboxamide?
The InChIKey is IYKDYRRWHMXJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-7-9(15-13-12-7)10(14)11-8-5-3-2-4-6-8/h2-6H,1H3,(H,11,14).
What are the key properties of 4-methyl-N-phenylthiadiazole-5-carboxamide?
4-methyl-N-phenylthiadiazole-5-carboxamide has a molecular weight of 219.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenylthiadiazole-5-carboxamide is sourced from PubChem (CID 728526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).