1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine

C14H24N2S — CID 65390265

IUPAC1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(C2CCC(C)(C)CC2)sc1C(C)N
InChIInChI=1S/C14H24N2S/c1-9(15)12-10(2)16-13(17-12)11-5-7-14(3,4)8-6-11/h9,11H,5-8,15H2,1-4H3
InChIKeyAADHNQJEQVCTJA-UHFFFAOYSA-N
MW252.43 g/mol
LogP4.16
Rot. Bonds2

About 1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine

1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 65390265) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID65390265
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(C2CCC(C)(C)CC2)sc1C(C)N
InChIInChI=1S/C14H24N2S/c1-9(15)12-10(2)16-13(17-12)11-5-7-14(3,4)8-6-11/h9,11H,5-8,15H2,1-4H3
InChIKeyAADHNQJEQVCTJA-UHFFFAOYSA-N
XLogP4.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]ethanol
CID 65401161
1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65391068
2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid
CID 116885510
N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 80610580
1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 19805509
2-amino-1-(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)ethanol
CID 116886750
5-(1-aminoethyl)-4-methyl-1,3-thiazol-2-amine
CID 61295642
1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine
CID 116887445
1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 65352108
1-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)cyclopropan-1-amine
CID 116887451
3-methyl-2-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]butanenitrile
CID 116887341
1-[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116774230

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 65390265) is 1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is Cc1nc(C2CCC(C)(C)CC2)sc1C(C)N.
What is the InChIKey of 1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is AADHNQJEQVCTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-9(15)12-10(2)16-13(17-12)11-5-7-14(3,4)8-6-11/h9,11H,5-8,15H2,1-4H3.
What are the key properties of 1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 252.43 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 65390265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).