methyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate

C11H15NO2S — CID 116865720

IUPACmethyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate
SMILESCCCc1csc(C2(C(=O)OC)CC2)n1
InChIInChI=1S/C11H15NO2S/c1-3-4-8-7-15-9(12-8)11(5-6-11)10(13)14-2/h7H,3-6H2,1-2H3
InChIKeyHUWWQMATITVPKN-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.30
Rot. Bonds4

About methyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate

methyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate (PubChem CID 116865720) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is methyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate
PubChem CID116865720
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Namemethyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate
SMILESCCCc1csc(C2(C(=O)OC)CC2)n1
InChIInChI=1S/C11H15NO2S/c1-3-4-8-7-15-9(12-8)11(5-6-11)10(13)14-2/h7H,3-6H2,1-2H3
InChIKeyHUWWQMATITVPKN-UHFFFAOYSA-N
XLogP2.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propyl-1,3-thiazol-2-yl)cyclopentan-1-amine;hydrochloride
CID 120558297
methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 107039795
2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole
CID 116782769
methyl 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate
CID 116865741
methyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate
CID 56789284
methyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 107039449
methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate
CID 116744559
methyl 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylate
CID 116887037
ethyl 4-propyl-1,3-thiazole-2-carboxylate
CID 62042144
methyl 1-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxylate
CID 79733976
N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774736
methyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate
CID 125113185

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate (CID 116865720) is methyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate is CCCc1csc(C2(C(=O)OC)CC2)n1.
What is the InChIKey of methyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate?
The InChIKey is HUWWQMATITVPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-3-4-8-7-15-9(12-8)11(5-6-11)10(13)14-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate?
methyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate has a molecular weight of 225.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 116865720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).