1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C14H24N2S — CID 104841127

IUPAC1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(C2CCC(C)CC2)sc1CNC
InChIInChI=1S/C14H24N2S/c1-4-12-13(9-15-3)17-14(16-12)11-7-5-10(2)6-8-11/h10-11,15H,4-9H2,1-3H3
InChIKeyBFLWVSHCAFHNBB-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.72
Rot. Bonds4

About 1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 104841127) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID104841127
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(C2CCC(C)CC2)sc1CNC
InChIInChI=1S/C14H24N2S/c1-4-12-13(9-15-3)17-14(16-12)11-7-5-10(2)6-8-11/h10-11,15H,4-9H2,1-3H3
InChIKeyBFLWVSHCAFHNBB-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-propyl-2-(4-propylcyclohexyl)-1,3-thiazol-5-yl]methanamine
CID 114363337
1-[2-(4-tert-butylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363593
N-[(2-cyclopropyl-4-ethyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82429453
N-methyl-1-[2-(oxan-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114363589
1-[4-ethyl-2-(3-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841091
N-[[4-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841421
[2-(4-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361233
N-[[2-(4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369404
1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367070
N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841773
1-[4-(methoxymethyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366077
(2-cyclobutyl-4-ethyl-1,3-thiazol-5-yl)methanamine
CID 104840931

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 104841127) is 1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CCc1nc(C2CCC(C)CC2)sc1CNC.
What is the InChIKey of 1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is BFLWVSHCAFHNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-12-13(9-15-3)17-14(16-12)11-7-5-10(2)6-8-11/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 252.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 104841127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).