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

C17H13ClFN3OS — CID 146126260

IUPAC5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccccn2)cs1)c1cc(Cl)ccc1F
InChIInChI=1S/C17H13ClFN3OS/c18-11-4-5-13(19)12(9-11)17(23)21-8-6-16-22-15(10-24-16)14-3-1-2-7-20-14/h1-5,7,9-10H,6,8H2,(H,21,23)
InChIKeyCYWNQXZIPPBPLL-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.97
Rot. Bonds5

About 5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide

5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 146126260) has the molecular formula C17H13ClFN3OS and a molecular weight of 361.83 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID146126260
Molecular FormulaC17H13ClFN3OS
Molecular Weight361.83 g/mol
Exact Mass361.05
IUPAC Name5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccccn2)cs1)c1cc(Cl)ccc1F
InChIInChI=1S/C17H13ClFN3OS/c18-11-4-5-13(19)12(9-11)17(23)21-8-6-16-22-15(10-24-16)14-3-1-2-7-20-14/h1-5,7,9-10H,6,8H2,(H,21,23)
InChIKeyCYWNQXZIPPBPLL-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

2,4-difluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126257
2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317539
5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 167856468
2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 146128805
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
CID 146128448
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110317519
3-methoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317530
1-phenyl-3-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317549
2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119882616

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide (CID 146126260) is 5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide is O=C(NCCc1nc(-c2ccccn2)cs1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is CYWNQXZIPPBPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3OS/c18-11-4-5-13(19)12(9-11)17(23)21-8-6-16-22-15(10-24-16)14-3-1-2-7-20-14/h1-5,7,9-10H,6,8H2,(H,21,23).
What are the key properties of 5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide?
5-chloro-2-fluoro-N-[2-(4-pyridin-2-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 5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 146126260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).