[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate

C16H12N2O3S2 — CID 2379341

IUPAC[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H12N2O3S2/c19-14(9-21-15(20)13-7-4-8-22-13)18-16-17-12(10-23-16)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,18,19)
InChIKeyPLKXRSZKSSQHFR-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.67
Rot. Bonds5

About [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate (PubChem CID 2379341) has the molecular formula C16H12N2O3S2 and a molecular weight of 344.42 g/mol. Its IUPAC name is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate
PubChem CID2379341
Molecular FormulaC16H12N2O3S2
Molecular Weight344.42 g/mol
Exact Mass344.03
IUPAC Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H12N2O3S2/c19-14(9-21-15(20)13-7-4-8-22-13)18-16-17-12(10-23-16)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,18,19)
InChIKeyPLKXRSZKSSQHFR-UHFFFAOYSA-N
XLogP3.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-Oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] furan-2-carboxylate
CID 16279122
(2-Phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate
CID 2115030
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2383064
N-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 781537
Methyl 4-(2-(5,6-dihydro-1,4-dioxine-2-carboxamido)thiazol-4-yl)benzoate
CID 4103238
[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2390295
[2-Oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2404140
[1-Oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] thiophene-2-carboxylate
CID 3298282
Methyl 2-[2-[(2-ethoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate
CID 13177565
Ethyl 4-[2-[(2-ethoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate
CID 13177566
Ethyl 4-[2-[(2-methoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate
CID 13177590
Ethyl 4-[2-[(2-butoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate
CID 13177591

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate (CID 2379341) is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate?
The InChIKey is PLKXRSZKSSQHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S2/c19-14(9-21-15(20)13-7-4-8-22-13)18-16-17-12(10-23-16)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,18,19).
What are the key properties of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate?
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate has a molecular weight of 344.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2379341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).