5-chloro-N-(3-fluorophenyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide

C10H7ClFN3OS — CID 80619043

IUPAC5-chloro-N-(3-fluorophenyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCN(C(=O)c1nnc(Cl)s1)c1cccc(F)c1
InChIInChI=1S/C10H7ClFN3OS/c1-15(7-4-2-3-6(12)5-7)9(16)8-13-14-10(11)17-8/h2-5H,1H3
InChIKeyAJALINVLGMAPBS-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.61
Rot. Bonds2

About 5-chloro-N-(3-fluorophenyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(3-fluorophenyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619043) has the molecular formula C10H7ClFN3OS and a molecular weight of 271.70 g/mol. Its IUPAC name is 5-chloro-N-(3-fluorophenyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-fluorophenyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619043
Molecular FormulaC10H7ClFN3OS
Molecular Weight271.70 g/mol
Exact Mass271.00
IUPAC Name5-chloro-N-(3-fluorophenyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCN(C(=O)c1nnc(Cl)s1)c1cccc(F)c1
InChIInChI=1S/C10H7ClFN3OS/c1-15(7-4-2-3-6(12)5-7)9(16)8-13-14-10(11)17-8/h2-5H,1H3
InChIKeyAJALINVLGMAPBS-UHFFFAOYSA-N
XLogP2.61
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625900
5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624921
6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide
CID 114035325
3-bromo-N-(3-fluorophenyl)-N-methylthiophene-2-carboxamide
CID 63799890
2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide
CID 113378414
3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide
CID 112575829
2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide
CID 114037685
2-fluoro-N-(3-fluorophenyl)-6-hydroxy-N-methylbenzamide
CID 104918220
5-chloro-2-(ethylamino)-N-(3-fluorophenyl)-N-methylbenzamide
CID 62173586
2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide
CID 81003545
2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide
CID 107075081
N-(3-chlorophenyl)-2-[(5-chloro-1,3,4-thiadiazol-2-yl)oxy]-N-methylacetamide
CID 19905026

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-fluorophenyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-fluorophenyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide (CID 80619043) is 5-chloro-N-(3-fluorophenyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-fluorophenyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-fluorophenyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide is CN(C(=O)c1nnc(Cl)s1)c1cccc(F)c1.
What is the InChIKey of 5-chloro-N-(3-fluorophenyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is AJALINVLGMAPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3OS/c1-15(7-4-2-3-6(12)5-7)9(16)8-13-14-10(11)17-8/h2-5H,1H3.
What are the key properties of 5-chloro-N-(3-fluorophenyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(3-fluorophenyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 271.70 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-fluorophenyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).