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

C18H13F4N3OS — CID 146128805

IUPAC2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1nc(-c2ccccn2)cs1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C18H13F4N3OS/c19-16-11(4-3-5-12(16)18(20,21)22)17(26)24-9-7-15-25-14(10-27-15)13-6-1-2-8-23-13/h1-6,8,10H,7,9H2,(H,24,26)
InChIKeyWYYIOYPINBPVOQ-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.34
Rot. Bonds5

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

2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 146128805) has the molecular formula C18H13F4N3OS and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID146128805
Molecular FormulaC18H13F4N3OS
Molecular Weight395.38 g/mol
Exact Mass395.07
IUPAC Name2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1nc(-c2ccccn2)cs1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C18H13F4N3OS/c19-16-11(4-3-5-12(16)18(20,21)22)17(26)24-9-7-15-25-14(10-27-15)13-6-1-2-8-23-13/h1-6,8,10H,7,9H2,(H,24,26)
InChIKeyWYYIOYPINBPVOQ-UHFFFAOYSA-N
XLogP4.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126260
2,4-difluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126257
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
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
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653
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
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]pyrimidine-4-carboxamide
CID 146128448
5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 167856468

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide (CID 146128805) is 2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide is O=C(NCCc1nc(-c2ccccn2)cs1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is WYYIOYPINBPVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3OS/c19-16-11(4-3-5-12(16)18(20,21)22)17(26)24-9-7-15-25-14(10-27-15)13-6-1-2-8-23-13/h1-6,8,10H,7,9H2,(H,24,26).
What are the key properties of 2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 395.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 146128805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).