2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide

C9H5ClFN3OS — CID 6469162

IUPAC2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccc(F)cc1Cl
InChIInChI=1S/C9H5ClFN3OS/c10-7-3-5(11)1-2-6(7)8(15)13-9-14-12-4-16-9/h1-4H,(H,13,14,15)
InChIKeyMSYGWNGMMYMSSG-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.58
Rot. Bonds2

About 2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide

2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 6469162) has the molecular formula C9H5ClFN3OS and a molecular weight of 257.68 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID6469162
Molecular FormulaC9H5ClFN3OS
Molecular Weight257.68 g/mol
Exact Mass256.98
IUPAC Name2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccc(F)cc1Cl
InChIInChI=1S/C9H5ClFN3OS/c10-7-3-5(11)1-2-6(7)8(15)13-9-14-12-4-16-9/h1-4H,(H,13,14,15)
InChIKeyMSYGWNGMMYMSSG-UHFFFAOYSA-N
XLogP2.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 103940013
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide
CID 18075087
2-chloro-4-fluoro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]benzamide
CID 77046628
6-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339464
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369951
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
2,4-difluoro-N-[4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butyl]benzamide
CID 29370798
4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43096347
4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 80973968
1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
CID 39850839
6-fluoro-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 115496715

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 6469162) is 2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is MSYGWNGMMYMSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFN3OS/c10-7-3-5(11)1-2-6(7)8(15)13-9-14-12-4-16-9/h1-4H,(H,13,14,15).
What are the key properties of 2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide?
2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 257.68 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 6469162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).