1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine

C14H21F3N2S — CID 64756125

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCNC1(c2nc(C)c(C)s2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2S/c1-4-18-13(12-19-9(2)10(3)20-12)7-5-11(6-8-13)14(15,16)17/h11,18H,4-8H2,1-3H3
InChIKeySNISHRSMPAPVGG-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.32
Rot. Bonds3

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64756125) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64756125
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCNC1(c2nc(C)c(C)s2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2S/c1-4-18-13(12-19-9(2)10(3)20-12)7-5-11(6-8-13)14(15,16)17/h11,18H,4-8H2,1-3H3
InChIKeySNISHRSMPAPVGG-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine (CID 64756125) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine is CCNC1(c2nc(C)c(C)s2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is SNISHRSMPAPVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-4-18-13(12-19-9(2)10(3)20-12)7-5-11(6-8-13)14(15,16)17/h11,18H,4-8H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 306.40 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64756125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).