2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide

C20H13ClN4OS — CID 99718268

IUPAC2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1cc(-c2ccccn2)ccc1Cl
InChIInChI=1S/C20H13ClN4OS/c21-16-10-9-14(17-8-4-5-11-22-17)12-15(16)19(26)24-20-23-18(25-27-20)13-6-2-1-3-7-13/h1-12H,(H,23,24,25,26)
InChIKeySDRCMCYJUMHGPE-UHFFFAOYSA-N
MW392.87 g/mol
LogP5.17
Rot. Bonds4

About 2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide

2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide (PubChem CID 99718268) has the molecular formula C20H13ClN4OS and a molecular weight of 392.87 g/mol. Its IUPAC name is 2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide
PubChem CID99718268
Molecular FormulaC20H13ClN4OS
Molecular Weight392.87 g/mol
Exact Mass392.05
IUPAC Name2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)c1cc(-c2ccccn2)ccc1Cl
InChIInChI=1S/C20H13ClN4OS/c21-16-10-9-14(17-8-4-5-11-22-17)12-15(16)19(26)24-20-23-18(25-27-20)13-6-2-1-3-7-13/h1-12H,(H,23,24,25,26)
InChIKeySDRCMCYJUMHGPE-UHFFFAOYSA-N
XLogP5.17
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.87
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 47050295
3-chloro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
CID 75454692
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 146076485
(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 86942045
N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 972595
N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide
CID 122555332
2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 17013300
1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 10803880
4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide
CID 154799929
2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 122555372

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide?
The IUPAC name of 2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide (CID 99718268) is 2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide?
The canonical SMILES for 2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide is O=C(Nc1nc(-c2ccccc2)ns1)c1cc(-c2ccccn2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide?
The InChIKey is SDRCMCYJUMHGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4OS/c21-16-10-9-14(17-8-4-5-11-22-17)12-15(16)19(26)24-20-23-18(25-27-20)13-6-2-1-3-7-13/h1-12H,(H,23,24,25,26).
What are the key properties of 2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide?
2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide has a molecular weight of 392.87 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide is sourced from PubChem (CID 99718268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).