methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate

C14H12N2O3S2 — CID 18139260

IUPACmethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C2Cc3ccccc3S2)s1
InChIInChI=1S/C14H12N2O3S2/c1-19-13(18)11-7-15-14(21-11)16-12(17)10-6-8-4-2-3-5-9(8)20-10/h2-5,7,10H,6H2,1H3,(H,15,16,17)
InChIKeyORAJIRLXXLFEST-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.59
Rot. Bonds3

About methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate

methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate (PubChem CID 18139260) has the molecular formula C14H12N2O3S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate
PubChem CID18139260
Molecular FormulaC14H12N2O3S2
Molecular Weight320.40 g/mol
Exact Mass320.03
IUPAC Namemethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C2Cc3ccccc3S2)s1
InChIInChI=1S/C14H12N2O3S2/c1-19-13(18)11-7-15-14(21-11)16-12(17)10-6-8-4-2-3-5-9(8)20-10/h2-5,7,10H,6H2,1H3,(H,15,16,17)
InChIKeyORAJIRLXXLFEST-UHFFFAOYSA-N
XLogP2.59
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate (CID 18139260) is methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)C2Cc3ccccc3S2)s1.
What is the InChIKey of methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is ORAJIRLXXLFEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S2/c1-19-13(18)11-7-15-14(21-11)16-12(17)10-6-8-4-2-3-5-9(8)20-10/h2-5,7,10H,6H2,1H3,(H,15,16,17).
What are the key properties of methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate?
methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 320.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18139260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).