[2-(cyclopropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

C17H14N2O3S2 — CID 2365053

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)NC1CC1
InChIInChI=1S/C17H14N2O3S2/c20-15(18-10-5-6-10)9-22-17(21)14-8-7-13(23-14)16-19-11-3-1-2-4-12(11)24-16/h1-4,7-8,10H,5-6,9H2,(H,18,20)
InChIKeyVWVYPLFOFMIXIB-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.46
Rot. Bonds5

About [2-(cyclopropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

[2-(cyclopropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate (PubChem CID 2365053) has the molecular formula C17H14N2O3S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
PubChem CID2365053
Molecular FormulaC17H14N2O3S2
Molecular Weight358.44 g/mol
Exact Mass358.04
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)NC1CC1
InChIInChI=1S/C17H14N2O3S2/c20-15(18-10-5-6-10)9-22-17(21)14-8-7-13(23-14)16-19-11-3-1-2-4-12(11)24-16/h1-4,7-8,10H,5-6,9H2,(H,18,20)
InChIKeyVWVYPLFOFMIXIB-UHFFFAOYSA-N
XLogP3.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(cyclopropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate with MolForge

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Related Compounds

[2-(methylamino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 2107154
5-(1,3-benzothiazol-2-yl)-N-cyclopropylthiophene-2-carboxamide
CID 2112794
[2-(3-Methoxypropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2413900
[2-(Ethylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2435855
[2-(Methylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2436417
(2-Oxooxolan-3-yl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2997660
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 3959653
1,3-Benzothiazol-2-ylmethyl thiophene-2-carboxylate
CID 1243333
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 3912736
Methyl 3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate
CID 49853346
(2-Oxo-2-piperidin-1-ylethyl) 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2385613
Thiophen-2-ylmethyl 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2414829

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate (CID 2365053) is [2-(cyclopropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate is O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate?
The InChIKey is VWVYPLFOFMIXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S2/c20-15(18-10-5-6-10)9-22-17(21)14-8-7-13(23-14)16-19-11-3-1-2-4-12(11)24-16/h1-4,7-8,10H,5-6,9H2,(H,18,20).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate is sourced from PubChem (CID 2365053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).