2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide

C16H12ClN3OS — CID 17013300

IUPAC2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C16H12ClN3OS/c17-13-8-6-11(7-9-13)10-14(21)18-16-19-15(20-22-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,18,19,20,21)
InChIKeyPKSMLOSJEAZNHI-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.04
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide

2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 17013300) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID17013300
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC Name2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C16H12ClN3OS/c17-13-8-6-11(7-9-13)10-14(21)18-16-19-15(20-22-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,18,19,20,21)
InChIKeyPKSMLOSJEAZNHI-UHFFFAOYSA-N
XLogP4.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 55750393
2-(1-hydroxycyclopentyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 111430681
1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 10803880
4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 86997275
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 17013953
2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 87025493
5-(4-chlorophenyl)-3-phenyl-1,2,4-thiadiazole
CID 86217654
pentakis(N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenylacetamide);N,N-dimethylformamide
CID 175653182
4-(3,4-dimethylphenyl)-4-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)butanamide
CID 55819469
ethyl N-[3-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]propyl]carbamate
CID 51091845

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide (CID 17013300) is 2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is PKSMLOSJEAZNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c17-13-8-6-11(7-9-13)10-14(21)18-16-19-15(20-22-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,18,19,20,21).
What are the key properties of 2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide?
2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 329.81 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 17013300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).