N-[[4-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine

C15H24F3N3S — CID 123298695

IUPACN-[[4-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CCC(N(C)C)(C(F)(F)F)CC2)sc1C
InChIInChI=1S/C15H24F3N3S/c1-10-11(2)22-13(20-10)19-9-12-5-7-14(8-6-12,21(3)4)15(16,17)18/h12H,5-9H2,1-4H3,(H,19,20)
InChIKeyIDMVKIMDOVBMKD-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.22
Rot. Bonds4

About N-[[4-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine

N-[[4-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 123298695) has the molecular formula C15H24F3N3S and a molecular weight of 335.44 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID123298695
Molecular FormulaC15H24F3N3S
Molecular Weight335.44 g/mol
Exact Mass335.16
IUPAC NameN-[[4-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CCC(N(C)C)(C(F)(F)F)CC2)sc1C
InChIInChI=1S/C15H24F3N3S/c1-10-11(2)22-13(20-10)19-9-12-5-7-14(8-6-12,21(3)4)15(16,17)18/h12H,5-9H2,1-4H3,(H,19,20)
InChIKeyIDMVKIMDOVBMKD-UHFFFAOYSA-N
XLogP4.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[4-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine (CID 123298695) is N-[[4-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[4-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[4-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(NCC2CCC(N(C)C)(C(F)(F)F)CC2)sc1C.
What is the InChIKey of N-[[4-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is IDMVKIMDOVBMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3S/c1-10-11(2)22-13(20-10)19-9-12-5-7-14(8-6-12,21(3)4)15(16,17)18/h12H,5-9H2,1-4H3,(H,19,20).
What are the key properties of N-[[4-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[[4-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 335.44 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 123298695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).