1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid

C10H13NO2S — CID 66025958

IUPAC1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid
SMILESCc1ncsc1CCC1(C(=O)O)CC1
InChIInChI=1S/C10H13NO2S/c1-7-8(14-6-11-7)2-3-10(4-5-10)9(12)13/h6H,2-5H2,1H3,(H,12,13)
InChIKeyKRNKLYTUJLRREF-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.25
Rot. Bonds4

About 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid

1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid (PubChem CID 66025958) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid
PubChem CID66025958
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid
SMILESCc1ncsc1CCC1(C(=O)O)CC1
InChIInChI=1S/C10H13NO2S/c1-7-8(14-6-11-7)2-3-10(4-5-10)9(12)13/h6H,2-5H2,1H3,(H,12,13)
InChIKeyKRNKLYTUJLRREF-UHFFFAOYSA-N
XLogP2.25
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 171682245
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1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
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1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
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1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
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5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid (CID 66025958) is 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid is Cc1ncsc1CCC1(C(=O)O)CC1.
What is the InChIKey of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is KRNKLYTUJLRREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-8(14-6-11-7)2-3-10(4-5-10)9(12)13/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid?
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66025958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).