ethyl 4-(propan-2-yloxymethyl)-1,3-thiazole-2-carboxylate

C10H15NO3S — CID 121302206

IUPACethyl 4-(propan-2-yloxymethyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(COC(C)C)cs1
InChIInChI=1S/C10H15NO3S/c1-4-13-10(12)9-11-8(6-15-9)5-14-7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyRZRFATOOUCCBRE-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.24
Rot. Bonds5

About ethyl 4-(propan-2-yloxymethyl)-1,3-thiazole-2-carboxylate

ethyl 4-(propan-2-yloxymethyl)-1,3-thiazole-2-carboxylate (PubChem CID 121302206) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is ethyl 4-(propan-2-yloxymethyl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(propan-2-yloxymethyl)-1,3-thiazole-2-carboxylate
PubChem CID121302206
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Nameethyl 4-(propan-2-yloxymethyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(COC(C)C)cs1
InChIInChI=1S/C10H15NO3S/c1-4-13-10(12)9-11-8(6-15-9)5-14-7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyRZRFATOOUCCBRE-UHFFFAOYSA-N
XLogP2.24
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-propyl-1,3-thiazole-2-carboxylate
CID 62042144
ethyl 4-(3-aminobutylsulfanylmethyl)-1,3-thiazole-2-carboxylate
CID 66235057
ethane;ethyl 4-propan-2-yl-1,3-thiazole-2-carboxylate
CID 143401318
ethyl 4-(dihydroxymethyl)-1,3-thiazole-2-carboxylate
CID 126661518
ethyl 4-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylate
CID 112628264
ethyl 4-[[2-aminoethyl(methyl)amino]methyl]-1,3-thiazole-2-carboxylate
CID 62686652
ethyl 4-formyl-1,3-thiazole-2-carboxylate;ethyl 4-(hydroxymethyl)-1,3-thiazole-2-carboxylate
CID 159426048
2-amino-4-[(2-ethoxycarbonyl-1,3-thiazol-4-yl)methylsulfanyl]butanoic acid
CID 54933718
ethyl 4-[(3,3-dimethylcyclobutyl)methyl]-1,3-thiazole-2-carboxylate
CID 121302207
ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate
CID 21075145
ethyl 4-[(2-bromo-5-fluorobenzoyl)oxymethyl]-1,3-thiazole-2-carboxylate
CID 55648897
ethyl 4-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-1,3-thiazole-2-carboxylate
CID 113238948

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(propan-2-yloxymethyl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-(propan-2-yloxymethyl)-1,3-thiazole-2-carboxylate (CID 121302206) is ethyl 4-(propan-2-yloxymethyl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(propan-2-yloxymethyl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-(propan-2-yloxymethyl)-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(COC(C)C)cs1.
What is the InChIKey of ethyl 4-(propan-2-yloxymethyl)-1,3-thiazole-2-carboxylate?
The InChIKey is RZRFATOOUCCBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-4-13-10(12)9-11-8(6-15-9)5-14-7(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of ethyl 4-(propan-2-yloxymethyl)-1,3-thiazole-2-carboxylate?
ethyl 4-(propan-2-yloxymethyl)-1,3-thiazole-2-carboxylate has a molecular weight of 229.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(propan-2-yloxymethyl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 121302206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).