N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C18H26F3N3OS — CID 166314078

IUPACN-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCc1csc(N2CCCC2)n1)C1CCCC(CC(F)(F)F)C1
InChIInChI=1S/C18H26F3N3OS/c19-18(20,21)11-13-4-3-5-14(10-13)16(25)22-7-6-15-12-26-17(23-15)24-8-1-2-9-24/h12-14H,1-11H2,(H,22,25)
InChIKeyXRSAQICROINBGO-UHFFFAOYSA-N
MW389.49 g/mol
LogP4.16
Rot. Bonds6

About N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 166314078) has the molecular formula C18H26F3N3OS and a molecular weight of 389.49 g/mol. Its IUPAC name is N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID166314078
Molecular FormulaC18H26F3N3OS
Molecular Weight389.49 g/mol
Exact Mass389.17
IUPAC NameN-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCc1csc(N2CCCC2)n1)C1CCCC(CC(F)(F)F)C1
InChIInChI=1S/C18H26F3N3OS/c19-18(20,21)11-13-4-3-5-14(10-13)16(25)22-7-6-15-12-26-17(23-15)24-8-1-2-9-24/h12-14H,1-11H2,(H,22,25)
InChIKeyXRSAQICROINBGO-UHFFFAOYSA-N
XLogP4.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 166314078) is N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is O=C(NCCc1csc(N2CCCC2)n1)C1CCCC(CC(F)(F)F)C1.
What is the InChIKey of N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is XRSAQICROINBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3OS/c19-18(20,21)11-13-4-3-5-14(10-13)16(25)22-7-6-15-12-26-17(23-15)24-8-1-2-9-24/h12-14H,1-11H2,(H,22,25).
What are the key properties of N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 389.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 166314078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).