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

C16H28N2OS — CID 116778029

IUPAC1-[4-ethyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(C2(OC)CCC(C)(C)CC2)sc1CNC
InChIInChI=1S/C16H28N2OS/c1-6-12-13(11-17-4)20-14(18-12)16(19-5)9-7-15(2,3)8-10-16/h17H,6-11H2,1-5H3
InChIKeyYGQBENVPBMNQHX-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.87
Rot. Bonds5

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

1-[4-ethyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 116778029) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-[4-ethyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID116778029
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name1-[4-ethyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(C2(OC)CCC(C)(C)CC2)sc1CNC
InChIInChI=1S/C16H28N2OS/c1-6-12-13(11-17-4)20-14(18-12)16(19-5)9-7-15(2,3)8-10-16/h17H,6-11H2,1-5H3
InChIKeyYGQBENVPBMNQHX-UHFFFAOYSA-N
XLogP3.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363491
N-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116778078
N-[[4-ethyl-2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730759
1-[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116777835
1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366904
[2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116777812
1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364760
N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363814
N-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366222
1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730681
N-[[4-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366119
[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361180

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 116778029) is 1-[4-ethyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CCc1nc(C2(OC)CCC(C)(C)CC2)sc1CNC.
What is the InChIKey of 1-[4-ethyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is YGQBENVPBMNQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-6-12-13(11-17-4)20-14(18-12)16(19-5)9-7-15(2,3)8-10-16/h17H,6-11H2,1-5H3.
What are the key properties of 1-[4-ethyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-ethyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 296.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 116778029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).