ethyl 4-[(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate

C12H16N2O4S — CID 116698196

IUPACethyl 4-[(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)NC2CCOC2C)cs1
InChIInChI=1S/C12H16N2O4S/c1-3-17-12(16)11-14-9(6-19-11)10(15)13-8-4-5-18-7(8)2/h6-8H,3-5H2,1-2H3,(H,13,15)
InChIKeyCWCDINPTMNIRKL-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.23
Rot. Bonds4

About ethyl 4-[(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate

ethyl 4-[(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate (PubChem CID 116698196) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is ethyl 4-[(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate
PubChem CID116698196
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Nameethyl 4-[(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)NC2CCOC2C)cs1
InChIInChI=1S/C12H16N2O4S/c1-3-17-12(16)11-14-9(6-19-11)10(15)13-8-4-5-18-7(8)2/h6-8H,3-5H2,1-2H3,(H,13,15)
InChIKeyCWCDINPTMNIRKL-UHFFFAOYSA-N
XLogP1.23
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116697644
ethyl 4-(cyclopent-3-en-1-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116698257
ethyl 4-[(3,4-dimethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698092
ethyl 4-[(4-ethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697832
ethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116697927
ethyl 4-[(1-methylcyclopropyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698267
ethyl 4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697992
ethyl 4-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698293
ethyl 4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697573
ethyl 4-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116698164
ethyl 4-(3-methylbut-2-enylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 106197397
ethyl 4-[(2,6-dimethylphenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697663

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate (CID 116698196) is ethyl 4-[(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C(=O)NC2CCOC2C)cs1.
What is the InChIKey of ethyl 4-[(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate?
The InChIKey is CWCDINPTMNIRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-3-17-12(16)11-14-9(6-19-11)10(15)13-8-4-5-18-7(8)2/h6-8H,3-5H2,1-2H3,(H,13,15).
What are the key properties of ethyl 4-[(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate?
ethyl 4-[(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate has a molecular weight of 284.34 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 116698196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).