4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine

C14H24N2S — CID 116888534

IUPAC4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCc1csc(C2CCCCC2)n1
InChIInChI=1S/C14H24N2S/c1-14(2,15)9-8-12-10-17-13(16-12)11-6-4-3-5-7-11/h10-11H,3-9,15H2,1-2H3
InChIKeyXODINBIABPBDHD-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.86
Rot. Bonds4

About 4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine

4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine (PubChem CID 116888534) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine
PubChem CID116888534
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCc1csc(C2CCCCC2)n1
InChIInChI=1S/C14H24N2S/c1-14(2,15)9-8-12-10-17-13(16-12)11-6-4-3-5-7-11/h10-11H,3-9,15H2,1-2H3
InChIKeyXODINBIABPBDHD-UHFFFAOYSA-N
XLogP3.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine
CID 116888539
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857
ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate
CID 103485101
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine
CID 116888387
2-methyl-4-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888513
3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine
CID 116888466
4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one
CID 116890297
4-(azetidin-3-ylmethyl)-2-cyclopentyl-1,3-thiazole
CID 105479874
2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole
CID 154793219
ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
CID 80602146
2-cyclobutyl-4-(2-methylpropyl)-1,3-thiazole
CID 130891959
3-(2-cyclobutyl-1,3-thiazol-4-yl)-2,2-dimethylpropanoic acid
CID 116889315

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine?
The IUPAC name of 4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine (CID 116888534) is 4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine?
The canonical SMILES for 4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine is CC(C)(N)CCc1csc(C2CCCCC2)n1.
What is the InChIKey of 4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine?
The InChIKey is XODINBIABPBDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-14(2,15)9-8-12-10-17-13(16-12)11-6-4-3-5-7-11/h10-11H,3-9,15H2,1-2H3.
What are the key properties of 4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine?
4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine has a molecular weight of 252.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine is sourced from PubChem (CID 116888534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).