2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole

C15H25NOS — CID 116782816

IUPAC2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole
SMILESCCOC1(c2ncc(C(C)C)s2)CCC(C)CC1
InChIInChI=1S/C15H25NOS/c1-5-17-15(8-6-12(4)7-9-15)14-16-10-13(18-14)11(2)3/h10-12H,5-9H2,1-4H3
InChIKeyPIJJNXXECZURAY-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.71
Rot. Bonds4

About 2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole

2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole (PubChem CID 116782816) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole
PubChem CID116782816
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole
SMILESCCOC1(c2ncc(C(C)C)s2)CCC(C)CC1
InChIInChI=1S/C15H25NOS/c1-5-17-15(8-6-12(4)7-9-15)14-16-10-13(18-14)11(2)3/h10-12H,5-9H2,1-4H3
InChIKeyPIJJNXXECZURAY-UHFFFAOYSA-N
XLogP4.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(1-ethoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 116774538
1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol
CID 116775247
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774371
1-[2-(1-ethoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116774239
[2-(1-ethoxy-4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362011
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774380
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 116777983
1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116774317
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 116778768
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 116778805
2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963627
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116774361

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole (CID 116782816) is 2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole is CCOC1(c2ncc(C(C)C)s2)CCC(C)CC1.
What is the InChIKey of 2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is PIJJNXXECZURAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-17-15(8-6-12(4)7-9-15)14-16-10-13(18-14)11(2)3/h10-12H,5-9H2,1-4H3.
What are the key properties of 2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole?
2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 267.44 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 116782816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).