methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate

C15H23NO3S — CID 107039795

IUPACmethyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC1(c2nc(CCC(=O)OC)cs2)CCCCC1
InChIInChI=1S/C15H23NO3S/c1-3-19-15(9-5-4-6-10-15)14-16-12(11-20-14)7-8-13(17)18-2/h11H,3-10H2,1-2H3
InChIKeyCVCALPFZFWSFGM-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.44
Rot. Bonds6

About methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate

methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate (PubChem CID 107039795) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate
PubChem CID107039795
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Namemethyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC1(c2nc(CCC(=O)OC)cs2)CCCCC1
InChIInChI=1S/C15H23NO3S/c1-3-19-15(9-5-4-6-10-15)14-16-12(11-20-14)7-8-13(17)18-2/h11H,3-10H2,1-2H3
InChIKeyCVCALPFZFWSFGM-UHFFFAOYSA-N
XLogP3.44
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate
CID 116744559
ethyl 2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetate
CID 116744539
methyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 107039449
2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetic acid
CID 116744490
2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole
CID 116782769
2-(1-ethoxycyclopentyl)-1,3-thiazol-4-amine
CID 116782573
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774727
[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol
CID 116782420
4-(chloromethyl)-2-(1-methoxycycloheptyl)-1,3-thiazole
CID 116744317
methyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate
CID 116865720
methyl 3-[2-[(2,2-dimethylcyclopentyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040507

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate (CID 107039795) is methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate is CCOC1(c2nc(CCC(=O)OC)cs2)CCCCC1.
What is the InChIKey of methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is CVCALPFZFWSFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-19-15(9-5-4-6-10-15)14-16-12(11-20-14)7-8-13(17)18-2/h11H,3-10H2,1-2H3.
What are the key properties of methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 297.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 107039795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).