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

C15H26N2S — CID 104841091

IUPAC1-[4-ethyl-2-(3-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(C2CCCC(CC)C2)sc1CNC
InChIInChI=1S/C15H26N2S/c1-4-11-7-6-8-12(9-11)15-17-13(5-2)14(18-15)10-16-3/h11-12,16H,4-10H2,1-3H3
InChIKeyPNNKYXHSRZBMOH-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.11
Rot. Bonds5

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

1-[4-ethyl-2-(3-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 104841091) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-[4-ethyl-2-(3-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-(3-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID104841091
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-[4-ethyl-2-(3-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(C2CCCC(CC)C2)sc1CNC
InChIInChI=1S/C15H26N2S/c1-4-11-7-6-8-12(9-11)15-17-13(5-2)14(18-15)10-16-3/h11-12,16H,4-10H2,1-3H3
InChIKeyPNNKYXHSRZBMOH-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-ethylcyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365976
1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65406205
1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841127
N-[[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 65415450
(2-cyclobutyl-4-ethyl-1,3-thiazol-5-yl)methanamine
CID 104840931
[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 65414439
N-[[4-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841421
N-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55125918
1-[4-ethyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 55117606
1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367070
N-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62766939
N-methyl-1-[4-propyl-2-(4-propylcyclohexyl)-1,3-thiazol-5-yl]methanamine
CID 114363337

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(3-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-(3-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 104841091) is 1-[4-ethyl-2-(3-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-(3-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-(3-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CCc1nc(C2CCCC(CC)C2)sc1CNC.
What is the InChIKey of 1-[4-ethyl-2-(3-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is PNNKYXHSRZBMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-4-11-7-6-8-12(9-11)15-17-13(5-2)14(18-15)10-16-3/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 1-[4-ethyl-2-(3-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-ethyl-2-(3-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 266.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(3-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 104841091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).