ethyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate

C12H12N2O3S2 — CID 696042

IUPACethyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cccs2)nc1C
InChIInChI=1S/C12H12N2O3S2/c1-3-17-11(16)9-7(2)13-12(19-9)14-10(15)8-5-4-6-18-8/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyLHMPCMUHAZPJFE-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.94
Rot. Bonds4

About ethyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate (PubChem CID 696042) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate
PubChem CID696042
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Nameethyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cccs2)nc1C
InChIInChI=1S/C12H12N2O3S2/c1-3-17-11(16)9-7(2)13-12(19-9)14-10(15)8-5-4-6-18-8/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyLHMPCMUHAZPJFE-UHFFFAOYSA-N
XLogP2.94
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate (CID 696042) is ethyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2cccs2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is LHMPCMUHAZPJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-3-17-11(16)9-7(2)13-12(19-9)14-10(15)8-5-4-6-18-8/h4-6H,3H2,1-2H3,(H,13,14,15).
What are the key properties of ethyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 696042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).