N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide

C14H13F3N2OS — CID 115679317

IUPACN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide
SMILESCCc1cnc(C(C)NC(=O)c2cc(F)c(F)c(F)c2)s1
InChIInChI=1S/C14H13F3N2OS/c1-3-9-6-18-14(21-9)7(2)19-13(20)8-4-10(15)12(17)11(16)5-8/h4-7H,3H2,1-2H3,(H,19,20)
InChIKeyCIBWRJAKNHUHLG-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.61
Rot. Bonds4

About N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide (PubChem CID 115679317) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide
PubChem CID115679317
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide
SMILESCCc1cnc(C(C)NC(=O)c2cc(F)c(F)c(F)c2)s1
InChIInChI=1S/C14H13F3N2OS/c1-3-9-6-18-14(21-9)7(2)19-13(20)8-4-10(15)12(17)11(16)5-8/h4-7H,3H2,1-2H3,(H,19,20)
InChIKeyCIBWRJAKNHUHLG-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzamide
CID 113251187
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide
CID 115679300
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115681963
4-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115679309
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 113387514
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-hydroxybenzamide
CID 112696838
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 113387499
2,4-dibromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103883113
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide
CID 107034319
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid
CID 113364270
4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2,6-difluorophenol
CID 115680101

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide?
The IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide (CID 115679317) is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide?
The canonical SMILES for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide is CCc1cnc(C(C)NC(=O)c2cc(F)c(F)c(F)c2)s1.
What is the InChIKey of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide?
The InChIKey is CIBWRJAKNHUHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-3-9-6-18-14(21-9)7(2)19-13(20)8-4-10(15)12(17)11(16)5-8/h4-7H,3H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide?
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide has a molecular weight of 314.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3,4,5-trifluorobenzamide is sourced from PubChem (CID 115679317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).