[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol

C14H23NO2S — CID 116782420

IUPAC[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol
SMILESCCOC1(c2nc(CO)cs2)CCC(C)(C)CC1
InChIInChI=1S/C14H23NO2S/c1-4-17-14(7-5-13(2,3)6-8-14)12-15-11(9-16)10-18-12/h10,16H,4-9H2,1-3H3
InChIKeyJWQUJHNHNLAJQV-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.47
Rot. Bonds4

About [2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol

[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol (PubChem CID 116782420) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is [2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol
PubChem CID116782420
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol
SMILESCCOC1(c2nc(CO)cs2)CCC(C)(C)CC1
InChIInChI=1S/C14H23NO2S/c1-4-17-14(7-5-13(2,3)6-8-14)12-15-11(9-16)10-18-12/h10,16H,4-9H2,1-3H3
InChIKeyJWQUJHNHNLAJQV-UHFFFAOYSA-N
XLogP3.47
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774761
N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774736
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774727
2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole
CID 116782769
methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate
CID 116744559
methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 107039795
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774721
2-(1-ethoxycyclopentyl)-1,3-thiazol-4-amine
CID 116782573
[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361180
2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine
CID 116782575
methyl 2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116744463
[2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine
CID 116727873

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol (CID 116782420) is [2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol is CCOC1(c2nc(CO)cs2)CCC(C)(C)CC1.
What is the InChIKey of [2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol?
The InChIKey is JWQUJHNHNLAJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-17-14(7-5-13(2,3)6-8-14)12-15-11(9-16)10-18-12/h10,16H,4-9H2,1-3H3.
What are the key properties of [2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol?
[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol has a molecular weight of 269.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 116782420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).