methyl 5-acetyl-2-(1-thiophen-2-ylethylamino)-1,3-thiazole-4-carboxylate

C13H14N2O3S2 — CID 106697008

IUPACmethyl 5-acetyl-2-(1-thiophen-2-ylethylamino)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(C)c2cccs2)sc1C(C)=O
InChIInChI=1S/C13H14N2O3S2/c1-7(9-5-4-6-19-9)14-13-15-10(12(17)18-3)11(20-13)8(2)16/h4-7H,1-3H3,(H,14,15)
InChIKeyUAAUHGFDFDSZBV-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.37
Rot. Bonds5

About methyl 5-acetyl-2-(1-thiophen-2-ylethylamino)-1,3-thiazole-4-carboxylate

methyl 5-acetyl-2-(1-thiophen-2-ylethylamino)-1,3-thiazole-4-carboxylate (PubChem CID 106697008) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is methyl 5-acetyl-2-(1-thiophen-2-ylethylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-2-(1-thiophen-2-ylethylamino)-1,3-thiazole-4-carboxylate
PubChem CID106697008
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Namemethyl 5-acetyl-2-(1-thiophen-2-ylethylamino)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(C)c2cccs2)sc1C(C)=O
InChIInChI=1S/C13H14N2O3S2/c1-7(9-5-4-6-19-9)14-13-15-10(12(17)18-3)11(20-13)8(2)16/h4-7H,1-3H3,(H,14,15)
InChIKeyUAAUHGFDFDSZBV-UHFFFAOYSA-N
XLogP3.37
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate
CID 115423867
5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid
CID 106696708
methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate
CID 60721902
methyl 5-acetyl-2-(4-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 106696803
methyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate
CID 106696860
methyl 5-acetyl-2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazole-4-carboxylate
CID 106696783
(1R)-N-methoxy-1-thiophen-2-ylethanamine
CID 124574743
methyl 5-acetyl-2-[2-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 106697576
methyl 5-acetyl-2-[(4-methylphenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 106696849
methyl 5-acetyl-2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 106697935
methyl 5-acetyl-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxylate
CID 106696789
methyl 2-(2-acetamidoethylamino)-5-acetyl-1,3-thiazole-4-carboxylate
CID 106697022

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-2-(1-thiophen-2-ylethylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-acetyl-2-(1-thiophen-2-ylethylamino)-1,3-thiazole-4-carboxylate (CID 106697008) is methyl 5-acetyl-2-(1-thiophen-2-ylethylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-acetyl-2-(1-thiophen-2-ylethylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-acetyl-2-(1-thiophen-2-ylethylamino)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(C)c2cccs2)sc1C(C)=O.
What is the InChIKey of methyl 5-acetyl-2-(1-thiophen-2-ylethylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is UAAUHGFDFDSZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-7(9-5-4-6-19-9)14-13-15-10(12(17)18-3)11(20-13)8(2)16/h4-7H,1-3H3,(H,14,15).
What are the key properties of methyl 5-acetyl-2-(1-thiophen-2-ylethylamino)-1,3-thiazole-4-carboxylate?
methyl 5-acetyl-2-(1-thiophen-2-ylethylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-2-(1-thiophen-2-ylethylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106697008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).