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

C12H17F3N2S — CID 43434628

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nc(CNC2CCC(C(F)(F)F)CC2)cs1
InChIInChI=1S/C12H17F3N2S/c1-8-17-11(7-18-8)6-16-10-4-2-9(3-5-10)12(13,14)15/h7,9-10,16H,2-6H2,1H3
InChIKeyDYERZAIPCKZTHZ-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.66
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43434628) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43434628
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nc(CNC2CCC(C(F)(F)F)CC2)cs1
InChIInChI=1S/C12H17F3N2S/c1-8-17-11(7-18-8)6-16-10-4-2-9(3-5-10)12(13,14)15/h7,9-10,16H,2-6H2,1H3
InChIKeyDYERZAIPCKZTHZ-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 43434628) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is Cc1nc(CNC2CCC(C(F)(F)F)CC2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is DYERZAIPCKZTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-8-17-11(7-18-8)6-16-10-4-2-9(3-5-10)12(13,14)15/h7,9-10,16H,2-6H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 278.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43434628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).