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

C11H10N2O3S2 — CID 84560174

IUPACmethyl 5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1cscn1
InChIInChI=1S/C11H10N2O3S2/c1-6-3-7(11(15)16-2)10(18-6)13-9(14)8-4-17-5-12-8/h3-5H,1-2H3,(H,13,14)
InChIKeyWSRAXSGTSKYAAW-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.55
Rot. Bonds3

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

methyl 5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate (PubChem CID 84560174) has the molecular formula C11H10N2O3S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is methyl 5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate
PubChem CID84560174
Molecular FormulaC11H10N2O3S2
Molecular Weight282.35 g/mol
Exact Mass282.01
IUPAC Namemethyl 5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1cscn1
InChIInChI=1S/C11H10N2O3S2/c1-6-3-7(11(15)16-2)10(18-6)13-9(14)8-4-17-5-12-8/h3-5H,1-2H3,(H,13,14)
InChIKeyWSRAXSGTSKYAAW-UHFFFAOYSA-N
XLogP2.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate
CID 110471808
methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 19279648
dimethyl 5-(1,3-thiazole-4-carbonylamino)benzene-1,3-dicarboxylate
CID 84554958
methyl 4-fluoro-2-(1,3-thiazole-4-carbonylamino)benzoate
CID 63047498
methyl 2-methyl-4-[1-(1,3-thiazole-4-carbonylamino)ethyl]benzoate
CID 171791978
methyl 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 17024350
ethyl 5-methyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 60795103
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
2-[3-[(3-methoxycarbonyl-5-methylthiophen-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504152
methyl 2-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 19476964
ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate
CID 65216558
5-methyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylic acid
CID 63614852

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate (CID 84560174) is methyl 5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate is COC(=O)c1cc(C)sc1NC(=O)c1cscn1.
What is the InChIKey of methyl 5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate?
The InChIKey is WSRAXSGTSKYAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S2/c1-6-3-7(11(15)16-2)10(18-6)13-9(14)8-4-17-5-12-8/h3-5H,1-2H3,(H,13,14).
What are the key properties of methyl 5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate?
methyl 5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate has a molecular weight of 282.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 84560174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).