[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3-(dimethylamino)benzoate

C14H15N3O3S — CID 2447554

IUPAC[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3-(dimethylamino)benzoate
SMILESCN(C)c1cccc(C(=O)OCC(=O)Nc2nccs2)c1
InChIInChI=1S/C14H15N3O3S/c1-17(2)11-5-3-4-10(8-11)13(19)20-9-12(18)16-14-15-6-7-21-14/h3-8H,9H2,1-2H3,(H,15,16,18)
InChIKeyIYFQVUOFDNPEDV-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.00
Rot. Bonds5

About [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3-(dimethylamino)benzoate

[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3-(dimethylamino)benzoate (PubChem CID 2447554) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3-(dimethylamino)benzoate
PubChem CID2447554
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3-(dimethylamino)benzoate
SMILESCN(C)c1cccc(C(=O)OCC(=O)Nc2nccs2)c1
InChIInChI=1S/C14H15N3O3S/c1-17(2)11-5-3-4-10(8-11)13(19)20-9-12(18)16-14-15-6-7-21-14/h3-8H,9H2,1-2H3,(H,15,16,18)
InChIKeyIYFQVUOFDNPEDV-UHFFFAOYSA-N
XLogP2.00
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Acetic acid phenyl-(thiazol-2-ylcarbamoyl)-methyl ester
CID 2930812
Ethyl 4-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate
CID 16068737
Ethyl 3-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate
CID 16068741
2-Oxo-2-(1,3-thiazol-2-ylamino)ethyl 3-methylbenzoate
CID 888798
[2-Oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 2166024
Ethyl 4-(1,3-thiazol-2-ylcarbamoylamino)benzoate
CID 307683
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2413013
Ethyl 4-{[(1,3-thiazol-2-yl)carbamothioyl]amino}benzoate
CID 5034257
Ethyl 4-[(3-methyl-1,3-thiazol-3-ium-2-yl)carbamoylamino]benzoate;methyl sulfate
CID 24198128
[2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate
CID 4843799
3-[(1,3-Thiazol-2-yl)amino]benzoic acid
CID 43358936
Methyl 3-[(2-acetamido-1,3-thiazol-5-yl)sulfonylamino]benzoate
CID 39861097

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3-(dimethylamino)benzoate?
The IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3-(dimethylamino)benzoate (CID 2447554) is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3-(dimethylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3-(dimethylamino)benzoate?
The canonical SMILES for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3-(dimethylamino)benzoate is CN(C)c1cccc(C(=O)OCC(=O)Nc2nccs2)c1.
What is the InChIKey of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3-(dimethylamino)benzoate?
The InChIKey is IYFQVUOFDNPEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-17(2)11-5-3-4-10(8-11)13(19)20-9-12(18)16-14-15-6-7-21-14/h3-8H,9H2,1-2H3,(H,15,16,18).
What are the key properties of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3-(dimethylamino)benzoate?
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3-(dimethylamino)benzoate has a molecular weight of 305.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3-(dimethylamino)benzoate is sourced from PubChem (CID 2447554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).