ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate

C10H13NO3S — CID 163219311

IUPACethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C2CC2)nc1CO
InChIInChI=1S/C10H13NO3S/c1-2-14-10(13)8-7(5-12)11-9(15-8)6-3-4-6/h6,12H,2-5H2,1H3
InChIKeyRXJMDJBDHZDPBW-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.69
Rot. Bonds4

About ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate

ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate (PubChem CID 163219311) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
PubChem CID163219311
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Nameethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C2CC2)nc1CO
InChIInChI=1S/C10H13NO3S/c1-2-14-10(13)8-7(5-12)11-9(15-8)6-3-4-6/h6,12H,2-5H2,1H3
InChIKeyRXJMDJBDHZDPBW-UHFFFAOYSA-N
XLogP1.69
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate (CID 163219311) is ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(C2CC2)nc1CO.
What is the InChIKey of ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is RXJMDJBDHZDPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-2-14-10(13)8-7(5-12)11-9(15-8)6-3-4-6/h6,12H,2-5H2,1H3.
What are the key properties of ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 227.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 163219311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).