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

C18H14F3N3OS — CID 110395471

IUPAC2,3,4-trifluoro-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1nc(-c2ccccn2)sc1CCNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H14F3N3OS/c1-10-14(26-18(24-10)13-4-2-3-8-22-13)7-9-23-17(25)11-5-6-12(19)16(21)15(11)20/h2-6,8H,7,9H2,1H3,(H,23,25)
InChIKeyGVFSNQQWUVOKCX-UHFFFAOYSA-N
MW377.39 g/mol
LogP3.90
Rot. Bonds5

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

2,3,4-trifluoro-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 110395471) has the molecular formula C18H14F3N3OS and a molecular weight of 377.39 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID110395471
Molecular FormulaC18H14F3N3OS
Molecular Weight377.39 g/mol
Exact Mass377.08
IUPAC Name2,3,4-trifluoro-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1nc(-c2ccccn2)sc1CCNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H14F3N3OS/c1-10-14(26-18(24-10)13-4-2-3-8-22-13)7-9-23-17(25)11-5-6-12(19)16(21)15(11)20/h2-6,8H,7,9H2,1H3,(H,23,25)
InChIKeyGVFSNQQWUVOKCX-UHFFFAOYSA-N
XLogP3.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110395472
2,6-dimethoxy-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110395441
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328955
N-butyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328903
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
CID 7503026
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide
CID 7503031
N-benzyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328924
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110718765
2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108744422
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide
CID 7222725
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134040764
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110717138

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide (CID 110395471) is 2,3,4-trifluoro-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide is Cc1nc(-c2ccccn2)sc1CCNC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is GVFSNQQWUVOKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3OS/c1-10-14(26-18(24-10)13-4-2-3-8-22-13)7-9-23-17(25)11-5-6-12(19)16(21)15(11)20/h2-6,8H,7,9H2,1H3,(H,23,25).
What are the key properties of 2,3,4-trifluoro-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide?
2,3,4-trifluoro-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 377.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110395471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).