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

C18H24N2S — CID 79827658

IUPAC4,4-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
SMILESCC1(C)CCC(N)(Cc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C18H24N2S/c1-17(2)8-10-18(19,11-9-17)12-16-20-15(13-21-16)14-6-4-3-5-7-14/h3-7,13H,8-12,19H2,1-2H3
InChIKeyFZEFUCMPZJLKRU-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.65
Rot. Bonds3

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

4,4-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 79827658) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID79827658
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name4,4-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
SMILESCC1(C)CCC(N)(Cc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C18H24N2S/c1-17(2)8-10-18(19,11-9-17)12-16-20-15(13-21-16)14-6-4-3-5-7-14/h3-7,13H,8-12,19H2,1-2H3
InChIKeyFZEFUCMPZJLKRU-UHFFFAOYSA-N
XLogP4.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine
CID 116969853
1-(1-ethylcyclopentyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006703
1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 62900910
2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 79832136
5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-amine
CID 79826392
3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol
CID 79820158
O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
CID 39241198
2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole
CID 66972700
5,5-dimethyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohex-2-en-1-one
CID 79826373
2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole
CID 77095750
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
N',3,3-trimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 111739032

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine (CID 79827658) is 4,4-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine is CC1(C)CCC(N)(Cc2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 4,4-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is FZEFUCMPZJLKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-17(2)8-10-18(19,11-9-17)12-16-20-15(13-21-16)14-6-4-3-5-7-14/h3-7,13H,8-12,19H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
4,4-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 300.47 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79827658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).