ethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate

C12H17NO3S — CID 116705209

IUPACethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(OC)C2CC2)sc1C
InChIInChI=1S/C12H17NO3S/c1-4-16-12(14)9-7(2)17-11(13-9)10(15-3)8-5-6-8/h8,10H,4-6H2,1-3H3
InChIKeyUXSUHKXVGCJAIY-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.73
Rot. Bonds5

About ethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate

ethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 116705209) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID116705209
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Nameethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(OC)C2CC2)sc1C
InChIInChI=1S/C12H17NO3S/c1-4-16-12(14)9-7(2)17-11(13-9)10(15-3)8-5-6-8/h8,10H,4-6H2,1-3H3
InChIKeyUXSUHKXVGCJAIY-UHFFFAOYSA-N
XLogP2.73
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate (CID 116705209) is ethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C(OC)C2CC2)sc1C.
What is the InChIKey of ethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is UXSUHKXVGCJAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-4-16-12(14)9-7(2)17-11(13-9)10(15-3)8-5-6-8/h8,10H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 255.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116705209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).