2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide

C10H6ClF2N3OS — CID 168719703

IUPAC2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CCl)Nc1nnc(-c2cccc(F)c2F)s1
InChIInChI=1S/C10H6ClF2N3OS/c11-4-7(17)14-10-16-15-9(18-10)5-2-1-3-6(12)8(5)13/h1-3H,4H2,(H,14,16,17)
InChIKeyKQPVOSQRKOJXQT-UHFFFAOYSA-N
MW289.69 g/mol
LogP2.66
Rot. Bonds3

About 2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide

2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 168719703) has the molecular formula C10H6ClF2N3OS and a molecular weight of 289.69 g/mol. Its IUPAC name is 2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID168719703
Molecular FormulaC10H6ClF2N3OS
Molecular Weight289.69 g/mol
Exact Mass288.99
IUPAC Name2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CCl)Nc1nnc(-c2cccc(F)c2F)s1
InChIInChI=1S/C10H6ClF2N3OS/c11-4-7(17)14-10-16-15-9(18-10)5-2-1-3-6(12)8(5)13/h1-3H,4H2,(H,14,16,17)
InChIKeyKQPVOSQRKOJXQT-UHFFFAOYSA-N
XLogP2.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 141226411
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4222808
1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
CID 808856
4-[5-[(2-chloroacetyl)amino]-1,3,4-thiadiazol-2-yl]benzoic acid
CID 121006067
2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 93242439
N-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 82176796
2-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 3764789
2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4769785
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(methylsulfamoyl)acetamide
CID 131963165
2-chloro-N-(2-fluoro-6-phenylphenyl)acetamide
CID 90081787
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 860502
2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 7096021

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 168719703) is 2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(CCl)Nc1nnc(-c2cccc(F)c2F)s1.
What is the InChIKey of 2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is KQPVOSQRKOJXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2N3OS/c11-4-7(17)14-10-16-15-9(18-10)5-2-1-3-6(12)8(5)13/h1-3H,4H2,(H,14,16,17).
What are the key properties of 2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 289.69 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 168719703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).