ethyl 4-propyl-1,3-thiazole-2-carboxylate

C9H13NO2S — CID 62042144

IUPACethyl 4-propyl-1,3-thiazole-2-carboxylate
SMILESCCCc1csc(C(=O)OCC)n1
InChIInChI=1S/C9H13NO2S/c1-3-5-7-6-13-8(10-7)9(11)12-4-2/h6H,3-5H2,1-2H3
InChIKeyWVMVWWPKASMRGL-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.27
Rot. Bonds4

About ethyl 4-propyl-1,3-thiazole-2-carboxylate

ethyl 4-propyl-1,3-thiazole-2-carboxylate (PubChem CID 62042144) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is ethyl 4-propyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-propyl-1,3-thiazole-2-carboxylate
PubChem CID62042144
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Nameethyl 4-propyl-1,3-thiazole-2-carboxylate
SMILESCCCc1csc(C(=O)OCC)n1
InChIInChI=1S/C9H13NO2S/c1-3-5-7-6-13-8(10-7)9(11)12-4-2/h6H,3-5H2,1-2H3
InChIKeyWVMVWWPKASMRGL-UHFFFAOYSA-N
XLogP2.27
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(propan-2-yloxymethyl)-1,3-thiazole-2-carboxylate
CID 121302206
ethyl 4-(dihydroxymethyl)-1,3-thiazole-2-carboxylate
CID 126661518
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
ethyl 4-(3-aminobutylsulfanylmethyl)-1,3-thiazole-2-carboxylate
CID 66235057
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-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-1,3-thiazole-2-carboxylate
CID 113238948
ethane;ethyl 4-propan-2-yl-1,3-thiazole-2-carboxylate
CID 143401318
2-amino-4-[(2-ethoxycarbonyl-1,3-thiazol-4-yl)methylsulfanyl]butanoic acid
CID 54933718
ethyl 4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-thiazole-2-carboxylate
CID 43249927
ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate
CID 175364490

Frequently Asked Questions

What is the IUPAC name of ethyl 4-propyl-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-propyl-1,3-thiazole-2-carboxylate (CID 62042144) is ethyl 4-propyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-propyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-propyl-1,3-thiazole-2-carboxylate is CCCc1csc(C(=O)OCC)n1.
What is the InChIKey of ethyl 4-propyl-1,3-thiazole-2-carboxylate?
The InChIKey is WVMVWWPKASMRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-5-7-6-13-8(10-7)9(11)12-4-2/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 4-propyl-1,3-thiazole-2-carboxylate?
ethyl 4-propyl-1,3-thiazole-2-carboxylate has a molecular weight of 199.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-propyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 62042144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).