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

C16H20N2S — CID 61338469

IUPAC3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C16H20N2S/c1-12-6-5-9-16(17,10-12)15-18-14(11-19-15)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10,17H2,1H3
InChIKeyMLRKZUQDBAIMKQ-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.17
Rot. Bonds2

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

3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine (PubChem CID 61338469) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine
PubChem CID61338469
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C16H20N2S/c1-12-6-5-9-16(17,10-12)15-18-14(11-19-15)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10,17H2,1H3
InChIKeyMLRKZUQDBAIMKQ-UHFFFAOYSA-N
XLogP4.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylcyclohexan-1-amine
CID 61338459
1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61338251
1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine
CID 63906078
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 134081875
3-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)cyclohexan-1-amine
CID 61352389
trans-(1S,3R)-3-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259850
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 61338059
1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61336894
1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61338048
1-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558286
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61336316
3-methyl-1-(5-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 61290909

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine (CID 61338469) is 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine is CC1CCCC(N)(c2nc(-c3ccccc3)cs2)C1.
What is the InChIKey of 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is MLRKZUQDBAIMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-12-6-5-9-16(17,10-12)15-18-14(11-19-15)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10,17H2,1H3.
What are the key properties of 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine?
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 272.42 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 61338469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).