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

C10H7ClFN3O2S — CID 80625824

IUPAC5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nnc(Cl)s2)cc1F
InChIInChI=1S/C10H7ClFN3O2S/c1-17-7-3-2-5(4-6(7)12)13-8(16)9-14-15-10(11)18-9/h2-4H,1H3,(H,13,16)
InChIKeyULPYURVSZHHXLV-UHFFFAOYSA-N
MW287.70 g/mol
LogP2.59
Rot. Bonds3

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

5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625824) has the molecular formula C10H7ClFN3O2S and a molecular weight of 287.70 g/mol. Its IUPAC name is 5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625824
Molecular FormulaC10H7ClFN3O2S
Molecular Weight287.70 g/mol
Exact Mass286.99
IUPAC Name5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nnc(Cl)s2)cc1F
InChIInChI=1S/C10H7ClFN3O2S/c1-17-7-3-2-5(4-6(7)12)13-8(16)9-14-15-10(11)18-9/h2-4H,1H3,(H,13,16)
InChIKeyULPYURVSZHHXLV-UHFFFAOYSA-N
XLogP2.59
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(5-chloro-2-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625735
5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618037
5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 107679572
2,5-dichloro-N-(3-fluoro-4-methoxyphenyl)-4-methoxybenzamide
CID 167851526
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369102
3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62169174
N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625889
N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80626101
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
5-chloro-N-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625838
5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide
CID 43612160

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 80625824) is 5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide is COc1ccc(NC(=O)c2nnc(Cl)s2)cc1F.
What is the InChIKey of 5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ULPYURVSZHHXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O2S/c1-17-7-3-2-5(4-6(7)12)13-8(16)9-14-15-10(11)18-9/h2-4H,1H3,(H,13,16).
What are the key properties of 5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 287.70 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).