N-[2-(1,3-thiazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide

C18H19F3N2OS — CID 49356333

IUPACN-[2-(1,3-thiazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
SMILESO=C(NCCc1nccs1)C1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C18H19F3N2OS/c19-18(20,21)14-5-3-4-13(12-14)17(7-1-2-8-17)16(24)23-9-6-15-22-10-11-25-15/h3-5,10-12H,1-2,6-9H2,(H,23,24)
InChIKeyFPDUNGRRFKJVBW-UHFFFAOYSA-N
MW368.42 g/mol
LogP4.33
Rot. Bonds5

About N-[2-(1,3-thiazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide

N-[2-(1,3-thiazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 49356333) has the molecular formula C18H19F3N2OS and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
PubChem CID49356333
Molecular FormulaC18H19F3N2OS
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC NameN-[2-(1,3-thiazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
SMILESO=C(NCCc1nccs1)C1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C18H19F3N2OS/c19-18(20,21)14-5-3-4-13(12-14)17(7-1-2-8-17)16(24)23-9-6-15-22-10-11-25-15/h3-5,10-12H,1-2,6-9H2,(H,23,24)
InChIKeyFPDUNGRRFKJVBW-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide (CID 49356333) is N-[2-(1,3-thiazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide is O=C(NCCc1nccs1)C1(c2cccc(C(F)(F)F)c2)CCCC1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is FPDUNGRRFKJVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2OS/c19-18(20,21)14-5-3-4-13(12-14)17(7-1-2-8-17)16(24)23-9-6-15-22-10-11-25-15/h3-5,10-12H,1-2,6-9H2,(H,23,24).
What are the key properties of N-[2-(1,3-thiazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
N-[2-(1,3-thiazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 49356333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).