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

C16H26N2S — CID 114367070

IUPAC1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCC1CCC(c2nc(C3CC3)c(CNC)s2)CC1
InChIInChI=1S/C16H26N2S/c1-3-11-4-6-13(7-5-11)16-18-15(12-8-9-12)14(19-16)10-17-2/h11-13,17H,3-10H2,1-2H3
InChIKeyHXSKGENKUMRCGT-UHFFFAOYSA-N
MW278.46 g/mol
LogP4.42
Rot. Bonds5

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

1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114367070) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114367070
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCC1CCC(c2nc(C3CC3)c(CNC)s2)CC1
InChIInChI=1S/C16H26N2S/c1-3-11-4-6-13(7-5-11)16-18-15(12-8-9-12)14(19-16)10-17-2/h11-13,17H,3-10H2,1-2H3
InChIKeyHXSKGENKUMRCGT-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-ethylcyclopentyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65406205
1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367019
N-[(2-cycloheptyl-4-cyclopropyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 114367140
N-methyl-1-[4-propyl-2-(4-propylcyclohexyl)-1,3-thiazol-5-yl]methanamine
CID 114363337
1-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 82436151
1-(4-cyclopropyl-2-pentan-3-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 82437062
N-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436887
N-[[2-(4-ethylcyclohexyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365494
1-[4-ethyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841127
N-[[4-cyclopropyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367712
N-[[4-ethyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841421
1-[4-ethyl-2-(3-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841091

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114367070) is 1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CCC1CCC(c2nc(C3CC3)c(CNC)s2)CC1.
What is the InChIKey of 1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is HXSKGENKUMRCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-3-11-4-6-13(7-5-11)16-18-15(12-8-9-12)14(19-16)10-17-2/h11-13,17H,3-10H2,1-2H3.
What are the key properties of 1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 278.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114367070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).