methyl 4-methyl-2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazole-5-carboxylate

C12H12N2O3S2 — CID 1247203

IUPACmethyl 4-methyl-2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)Cc2cccs2)nc1C
InChIInChI=1S/C12H12N2O3S2/c1-7-10(11(16)17-2)19-12(13-7)14-9(15)6-8-4-3-5-18-8/h3-5H,6H2,1-2H3,(H,13,14,15)
InChIKeyZBGJNGLJZYFRQD-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.48
Rot. Bonds4

About methyl 4-methyl-2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 1247203) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID1247203
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Namemethyl 4-methyl-2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)Cc2cccs2)nc1C
InChIInChI=1S/C12H12N2O3S2/c1-7-10(11(16)17-2)19-12(13-7)14-9(15)6-8-4-3-5-18-8/h3-5H,6H2,1-2H3,(H,13,14,15)
InChIKeyZBGJNGLJZYFRQD-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazole-5-carboxylate (CID 1247203) is methyl 4-methyl-2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)Cc2cccs2)nc1C.
What is the InChIKey of methyl 4-methyl-2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is ZBGJNGLJZYFRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-7-10(11(16)17-2)19-12(13-7)14-9(15)6-8-4-3-5-18-8/h3-5H,6H2,1-2H3,(H,13,14,15).
What are the key properties of methyl 4-methyl-2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 1247203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).