N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C14H21F3N2OS — CID 64540774

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCc1nc(C)c(CNC2CCCC(OCC(F)(F)F)C2)s1
InChIInChI=1S/C14H21F3N2OS/c1-9-13(21-10(2)19-9)7-18-11-4-3-5-12(6-11)20-8-14(15,16)17/h11-12,18H,3-8H2,1-2H3
InChIKeyKWECMAREIFZCBG-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.74
Rot. Bonds5

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 64540774) has the molecular formula C14H21F3N2OS and a molecular weight of 322.40 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID64540774
Molecular FormulaC14H21F3N2OS
Molecular Weight322.40 g/mol
Exact Mass322.13
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCc1nc(C)c(CNC2CCCC(OCC(F)(F)F)C2)s1
InChIInChI=1S/C14H21F3N2OS/c1-9-13(21-10(2)19-9)7-18-11-4-3-5-12(6-11)20-8-14(15,16)17/h11-12,18H,3-8H2,1-2H3
InChIKeyKWECMAREIFZCBG-UHFFFAOYSA-N
XLogP3.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 64540774) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is Cc1nc(C)c(CNC2CCCC(OCC(F)(F)F)C2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is KWECMAREIFZCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2OS/c1-9-13(21-10(2)19-9)7-18-11-4-3-5-12(6-11)20-8-14(15,16)17/h11-12,18H,3-8H2,1-2H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 322.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 64540774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).