2-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide

C13H17F3N2OS — CID 48591877

IUPAC2-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C13H17F3N2OS/c1-2-11-17-7-10(20-11)12(19)18-9-5-3-4-8(6-9)13(14,15)16/h7-9H,2-6H2,1H3,(H,18,19)
InChIKeyQHLBRLGJDNMJGQ-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.56
Rot. Bonds3

About 2-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide

2-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide (PubChem CID 48591877) has the molecular formula C13H17F3N2OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
PubChem CID48591877
Molecular FormulaC13H17F3N2OS
Molecular Weight306.35 g/mol
Exact Mass306.10
IUPAC Name2-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C13H17F3N2OS/c1-2-11-17-7-10(20-11)12(19)18-9-5-3-4-8(6-9)13(14,15)16/h7-9H,2-6H2,1H3,(H,18,19)
InChIKeyQHLBRLGJDNMJGQ-UHFFFAOYSA-N
XLogP3.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide (CID 48591877) is 2-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NC2CCCC(C(F)(F)F)C2)s1.
What is the InChIKey of 2-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QHLBRLGJDNMJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2OS/c1-2-11-17-7-10(20-11)12(19)18-9-5-3-4-8(6-9)13(14,15)16/h7-9H,2-6H2,1H3,(H,18,19).
What are the key properties of 2-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide?
2-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48591877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).