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

C14H9ClN4OS — CID 118077533

IUPAC3-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)ns1)c1cccc(Cl)c1
InChIInChI=1S/C14H9ClN4OS/c15-10-5-3-4-9(8-10)13(20)18-14-17-12(19-21-14)11-6-1-2-7-16-11/h1-8H,(H,17,18,19,20)
InChIKeyNBSLQGJZKZJTRW-UHFFFAOYSA-N
MW316.77 g/mol
LogP3.51
Rot. Bonds3

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

3-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 118077533) has the molecular formula C14H9ClN4OS and a molecular weight of 316.77 g/mol. Its IUPAC name is 3-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID118077533
Molecular FormulaC14H9ClN4OS
Molecular Weight316.77 g/mol
Exact Mass316.02
IUPAC Name3-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)ns1)c1cccc(Cl)c1
InChIInChI=1S/C14H9ClN4OS/c15-10-5-3-4-9(8-10)13(20)18-14-17-12(19-21-14)11-6-1-2-7-16-11/h1-8H,(H,17,18,19,20)
InChIKeyNBSLQGJZKZJTRW-UHFFFAOYSA-N
XLogP3.51
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 3-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzamide (CID 118077533) is 3-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 3-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzamide is O=C(Nc1nc(-c2ccccn2)ns1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is NBSLQGJZKZJTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4OS/c15-10-5-3-4-9(8-10)13(20)18-14-17-12(19-21-14)11-6-1-2-7-16-11/h1-8H,(H,17,18,19,20).
What are the key properties of 3-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzamide?
3-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 316.77 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 118077533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).