N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

C14H21F3N2S — CID 64755096

IUPACN-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCNC1(c2nc(C(C)C)cs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2S/c1-9(2)11-8-20-12(19-11)13(18-3)6-4-10(5-7-13)14(15,16)17/h8-10,18H,4-7H2,1-3H3
InChIKeyWCPOGHDLCKQSGX-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.43
Rot. Bonds3

About N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64755096) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64755096
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC NameN-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCNC1(c2nc(C(C)C)cs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2S/c1-9(2)11-8-20-12(19-11)13(18-3)6-4-10(5-7-13)14(15,16)17/h8-10,18H,4-7H2,1-3H3
InChIKeyWCPOGHDLCKQSGX-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64755096) is N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is CNC1(c2nc(C(C)C)cs2)CCC(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is WCPOGHDLCKQSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-9(2)11-8-20-12(19-11)13(18-3)6-4-10(5-7-13)14(15,16)17/h8-10,18H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 306.40 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64755096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).