2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide

C17H13ClFN3OS — CID 110317678

IUPAC2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc(-c2cccnc2)cs1)c1c(F)cccc1Cl
InChIInChI=1S/C17H13ClFN3OS/c18-12-4-1-5-13(19)16(12)17(23)21-8-6-15-22-14(10-24-15)11-3-2-7-20-9-11/h1-5,7,9-10H,6,8H2,(H,21,23)
InChIKeyKKQBXGUHVSMBLY-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.97
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 110317678) has the molecular formula C17H13ClFN3OS and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID110317678
Molecular FormulaC17H13ClFN3OS
Molecular Weight361.83 g/mol
Exact Mass361.05
IUPAC Name2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc(-c2cccnc2)cs1)c1c(F)cccc1Cl
InChIInChI=1S/C17H13ClFN3OS/c18-12-4-1-5-13(19)16(12)17(23)21-8-6-15-22-14(10-24-15)11-3-2-7-20-9-11/h1-5,7,9-10H,6,8H2,(H,21,23)
InChIKeyKKQBXGUHVSMBLY-UHFFFAOYSA-N
XLogP3.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317642
2,2-dimethyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110317630
2-chloro-6-fluoro-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]benzamide
CID 126852817
2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide
CID 110400269
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110317677
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
CID 108542988
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 24690096
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
CID 82116416
N-(2-methoxyethyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110647547
N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965021
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
CID 108737631

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide (CID 110317678) is 2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide is O=C(NCCc1nc(-c2cccnc2)cs1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is KKQBXGUHVSMBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3OS/c18-12-4-1-5-13(19)16(12)17(23)21-8-6-15-22-14(10-24-15)11-3-2-7-20-9-11/h1-5,7,9-10H,6,8H2,(H,21,23).
What are the key properties of 2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 361.83 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110317678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).