ethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate

C9H10BrNO2S — CID 118432884

IUPACethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1csc(Br)n1
InChIInChI=1S/C9H10BrNO2S/c1-2-13-8(12)6-3-5(6)7-4-14-9(10)11-7/h4-6H,2-3H2,1H3
InChIKeyVNJNHZLPGVSIMK-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.57
Rot. Bonds3

About ethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate

ethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate (PubChem CID 118432884) has the molecular formula C9H10BrNO2S and a molecular weight of 276.16 g/mol. Its IUPAC name is ethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate
PubChem CID118432884
Molecular FormulaC9H10BrNO2S
Molecular Weight276.16 g/mol
Exact Mass274.96
IUPAC Nameethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1csc(Br)n1
InChIInChI=1S/C9H10BrNO2S/c1-2-13-8(12)6-3-5(6)7-4-14-9(10)11-7/h4-6H,2-3H2,1H3
InChIKeyVNJNHZLPGVSIMK-UHFFFAOYSA-N
XLogP2.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate
CID 89415647
trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 66837013
trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 142405028
trans-ethyl (1R,2R)-2-(5-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 177320992
ethyl 2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 153293789
ethyl 2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylate
CID 135262621
trans-ethyl (1R,2R)-2-(6-oxo-1H-pyrazin-3-yl)cyclopropane-1-carboxylate
CID 142405041
trans-ethyl (1S,2S)-2-(4-amino-2-pyridinyl)cyclopropane-1-carboxylate
CID 129268949
trans-ethyl (1R,2R)-2-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxylate
CID 118512749
trans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate
CID 132553582
trans-ethyl (1S,2S)-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxylate
CID 167228834
cis-ethyl (1R,2S)-2-(6-bromo-3-pyridinyl)cyclopropane-1-carboxylate
CID 124561675

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate (CID 118432884) is ethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1csc(Br)n1.
What is the InChIKey of ethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate?
The InChIKey is VNJNHZLPGVSIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2S/c1-2-13-8(12)6-3-5(6)7-4-14-9(10)11-7/h4-6H,2-3H2,1H3.
What are the key properties of ethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate?
ethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate has a molecular weight of 276.16 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 118432884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).