4-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide

C17H14ClN3OS — CID 7119146

IUPAC4-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3OS/c18-14-5-3-12(4-6-14)16(22)20-9-7-15-11-23-17(21-15)13-2-1-8-19-10-13/h1-6,8,10-11H,7,9H2,(H,20,22)
InChIKeyWSICHHDTDUVVMO-UHFFFAOYSA-N
MW343.84 g/mol
LogP3.83
Rot. Bonds5

About 4-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide

4-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 7119146) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID7119146
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name4-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3OS/c18-14-5-3-12(4-6-14)16(22)20-9-7-15-11-23-17(21-15)13-2-1-8-19-10-13/h1-6,8,10-11H,7,9H2,(H,20,22)
InChIKeyWSICHHDTDUVVMO-UHFFFAOYSA-N
XLogP3.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide (CID 7119146) is 4-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide is O=C(NCCc1csc(-c2cccnc2)n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is WSICHHDTDUVVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c18-14-5-3-12(4-6-14)16(22)20-9-7-15-11-23-17(21-15)13-2-1-8-19-10-13/h1-6,8,10-11H,7,9H2,(H,20,22).
What are the key properties of 4-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
4-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 343.84 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 7119146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).