2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate

C10H13NO2S — CID 11401580

IUPAC2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate
SMILESCc1ncsc1CCOC(=O)C1CC1
InChIInChI=1S/C10H13NO2S/c1-7-9(14-6-11-7)4-5-13-10(12)8-2-3-8/h6,8H,2-5H2,1H3
InChIKeyACBNMJPKDMBURR-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.95
Rot. Bonds4

About 2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate

2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate (PubChem CID 11401580) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate
PubChem CID11401580
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate
SMILESCc1ncsc1CCOC(=O)C1CC1
InChIInChI=1S/C10H13NO2S/c1-7-9(14-6-11-7)4-5-13-10(12)8-2-3-8/h6,8H,2-5H2,1H3
InChIKeyACBNMJPKDMBURR-UHFFFAOYSA-N
XLogP1.95
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid
CID 114451058
2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate
CID 23797383
2-(4-methyl-1,3-thiazol-5-yl)ethyl (4R)-4,5,6,7-tetrahydro-1H-indazole-4-carboxylate
CID 97223987
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate
CID 78873948
triethyl-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-oxoethyl]azanium bromide
CID 167666489
4-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79531811
ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-2-carboxylate
CID 78997614
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate
CID 55035250
methyl 2-bromo-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoate
CID 81091489
2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-(4-ethoxyphenyl)prop-2-enoate
CID 78782493

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate (CID 11401580) is 2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate is Cc1ncsc1CCOC(=O)C1CC1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate?
The InChIKey is ACBNMJPKDMBURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-9(14-6-11-7)4-5-13-10(12)8-2-3-8/h6,8H,2-5H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate?
2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate has a molecular weight of 211.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate is sourced from PubChem (CID 11401580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).