5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

C10H7ClFN3OS — CID 80618037

IUPAC5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cc(F)cc(NC(=O)c2nnc(Cl)s2)c1
InChIInChI=1S/C10H7ClFN3OS/c1-5-2-6(12)4-7(3-5)13-8(16)9-14-15-10(11)17-9/h2-4H,1H3,(H,13,16)
InChIKeyKLVICKHYXWCGOG-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.89
Rot. Bonds2

About 5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618037) has the molecular formula C10H7ClFN3OS and a molecular weight of 271.70 g/mol. Its IUPAC name is 5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618037
Molecular FormulaC10H7ClFN3OS
Molecular Weight271.70 g/mol
Exact Mass271.00
IUPAC Name5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cc(F)cc(NC(=O)c2nnc(Cl)s2)c1
InChIInChI=1S/C10H7ClFN3OS/c1-5-2-6(12)4-7(3-5)13-8(16)9-14-15-10(11)17-9/h2-4H,1H3,(H,13,16)
InChIKeyKLVICKHYXWCGOG-UHFFFAOYSA-N
XLogP2.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625824
5-chloro-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625143
N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625889
5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625727
5-chloro-N-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625838
N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625157
N-(3,5-difluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616145
N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 82757101
5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 107679572
5-chloro-N-[4-(propanoylamino)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624941
5-chloro-N-(4-fluoro-3-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625004
N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80626101

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 80618037) is 5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is Cc1cc(F)cc(NC(=O)c2nnc(Cl)s2)c1.
What is the InChIKey of 5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is KLVICKHYXWCGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3OS/c1-5-2-6(12)4-7(3-5)13-8(16)9-14-15-10(11)17-9/h2-4H,1H3,(H,13,16).
What are the key properties of 5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 271.70 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).