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

C16H14N2O3S2 — CID 2435855

IUPAC[2-(ethylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
SMILESCCNC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C16H14N2O3S2/c1-2-17-14(19)9-21-16(20)13-8-7-12(22-13)15-18-10-5-3-4-6-11(10)23-15/h3-8H,2,9H2,1H3,(H,17,19)
InChIKeyAPMCAQLPSJAQQC-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.32
Rot. Bonds5

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

[2-(ethylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate (PubChem CID 2435855) has the molecular formula C16H14N2O3S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
PubChem CID2435855
Molecular FormulaC16H14N2O3S2
Molecular Weight346.43 g/mol
Exact Mass346.04
IUPAC Name[2-(ethylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
SMILESCCNC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C16H14N2O3S2/c1-2-17-14(19)9-21-16(20)13-8-7-12(22-13)15-18-10-5-3-4-6-11(10)23-15/h3-8H,2,9H2,1H3,(H,17,19)
InChIKeyAPMCAQLPSJAQQC-UHFFFAOYSA-N
XLogP3.32
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(methylamino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 2107154
[2-(3-Methoxypropylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2413900
[2-(Methylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2436417
5-(1,3-benzothiazol-2-yl)-N-propylthiophene-2-carboxamide
CID 2452036
2-[5-(Morpholine-4-carbonyl)thiophen-2-yl]-1,3-benzothiazole
CID 2468834
(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
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 2360405
1,3-Benzothiazol-2-ylmethyl thiophene-2-carboxylate
CID 1243333
Ethyl 2-(2-(benzo[d]thiazol-2-ylthio)acetamido)-4,5-dimethylthiophene-3-carboxylate
CID 1581961
[2-[4-(diethylamino)anilino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 2078977
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 3912736

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate (CID 2435855) is [2-(ethylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate is CCNC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate?
The InChIKey is APMCAQLPSJAQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S2/c1-2-17-14(19)9-21-16(20)13-8-7-12(22-13)15-18-10-5-3-4-6-11(10)23-15/h3-8H,2,9H2,1H3,(H,17,19).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate?
[2-(ethylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate is sourced from PubChem (CID 2435855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).