1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine

C16H28N2S — CID 79819712

IUPAC1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N)(Cc2nc(C(C)(C)C)cs2)C1C
InChIInChI=1S/C16H28N2S/c1-11-7-6-8-16(17,12(11)2)9-14-18-13(10-19-14)15(3,4)5/h10-12H,6-9,17H2,1-5H3
InChIKeyKWWVWUNUPWYBOH-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.14
Rot. Bonds2

About 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 79819712) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID79819712
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N)(Cc2nc(C(C)(C)C)cs2)C1C
InChIInChI=1S/C16H28N2S/c1-11-7-6-8-16(17,12(11)2)9-14-18-13(10-19-14)15(3,4)5/h10-12H,6-9,17H2,1-5H3
InChIKeyKWWVWUNUPWYBOH-UHFFFAOYSA-N
XLogP4.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 79820634
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 79820557
3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol
CID 80562975
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79827472
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539038
[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine
CID 81010240
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 115999371
1-[(4-ethylphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64775391
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107190144
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolidin-3-ol
CID 79820547
1-[2-(aminomethyl)cyclohexyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
CID 116584612
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propylcycloheptan-1-amine
CID 65088642

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine (CID 79819712) is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine is CC1CCCC(N)(Cc2nc(C(C)(C)C)cs2)C1C.
What is the InChIKey of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is KWWVWUNUPWYBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-11-7-6-8-16(17,12(11)2)9-14-18-13(10-19-14)15(3,4)5/h10-12H,6-9,17H2,1-5H3.
What are the key properties of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine?
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79819712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).