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

C17H22N2S — CID 62900910

IUPAC1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
SMILESCC1(NCc2nc(-c3ccccc3)cs2)CCCCC1
InChIInChI=1S/C17H22N2S/c1-17(10-6-3-7-11-17)18-12-16-19-15(13-20-16)14-8-4-2-5-9-14/h2,4-5,8-9,13,18H,3,6-7,10-12H2,1H3
InChIKeyQZXJEVGWGKAOSR-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.62
Rot. Bonds4

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

1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 62900910) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID62900910
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
SMILESCC1(NCc2nc(-c3ccccc3)cs2)CCCCC1
InChIInChI=1S/C17H22N2S/c1-17(10-6-3-7-11-17)18-12-16-19-15(13-20-16)14-8-4-2-5-9-14/h2,4-5,8-9,13,18H,3,6-7,10-12H2,1H3
InChIKeyQZXJEVGWGKAOSR-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol
CID 62900743
1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 63934325
2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 79832136
2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine
CID 79359346
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 115765812
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
4,4-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 79827658
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine
CID 62900558
1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 103449748
1-(1-ethylcyclopentyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006703
2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 62899206

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine (CID 62900910) is 1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine is CC1(NCc2nc(-c3ccccc3)cs2)CCCCC1.
What is the InChIKey of 1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is QZXJEVGWGKAOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-17(10-6-3-7-11-17)18-12-16-19-15(13-20-16)14-8-4-2-5-9-14/h2,4-5,8-9,13,18H,3,6-7,10-12H2,1H3.
What are the key properties of 1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 286.44 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62900910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).