[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride

C12H15ClF6N2S — CID 166045519

IUPAC[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride
SMILESCl.NC(c1csc(C(F)(F)F)n1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H14F6N2S.ClH/c13-11(14,15)7-3-1-6(2-4-7)9(19)8-5-21-10(20-8)12(16,17)18;/h5-7,9H,1-4,19H2;1H
InChIKeyGYVBNRBRAIOHHR-UHFFFAOYSA-N
MW368.77 g/mol
LogP4.95
Rot. Bonds2

About [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride

[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride (PubChem CID 166045519) has the molecular formula C12H15ClF6N2S and a molecular weight of 368.77 g/mol. Its IUPAC name is [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride
PubChem CID166045519
Molecular FormulaC12H15ClF6N2S
Molecular Weight368.77 g/mol
Exact Mass368.05
IUPAC Name[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride
SMILESCl.NC(c1csc(C(F)(F)F)n1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H14F6N2S.ClH/c13-11(14,15)7-3-1-6(2-4-7)9(19)8-5-21-10(20-8)12(16,17)18;/h5-7,9H,1-4,19H2;1H
InChIKeyGYVBNRBRAIOHHR-UHFFFAOYSA-N
XLogP4.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.77
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride (CID 166045519) is [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride is Cl.NC(c1csc(C(F)(F)F)n1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride?
The InChIKey is GYVBNRBRAIOHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F6N2S.ClH/c13-11(14,15)7-3-1-6(2-4-7)9(19)8-5-21-10(20-8)12(16,17)18;/h5-7,9H,1-4,19H2;1H.
What are the key properties of [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride?
[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride has a molecular weight of 368.77 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 166045519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).