(1,3-thiazol-2-ylamino) benzoate

C10H8N2O2S — CID 174937063

IUPAC(1,3-thiazol-2-ylamino) benzoate
SMILESO=C(ONc1nccs1)c1ccccc1
InChIInChI=1S/C10H8N2O2S/c13-9(8-4-2-1-3-5-8)14-12-10-11-6-7-15-10/h1-7H,(H,11,12)
InChIKeyCONRWUNUYUHLEM-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.33
Rot. Bonds3

About (1,3-thiazol-2-ylamino) benzoate

(1,3-thiazol-2-ylamino) benzoate (PubChem CID 174937063) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is (1,3-thiazol-2-ylamino) benzoate.

Molecular Properties

Compound Name(1,3-thiazol-2-ylamino) benzoate
PubChem CID174937063
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name(1,3-thiazol-2-ylamino) benzoate
SMILESO=C(ONc1nccs1)c1ccccc1
InChIInChI=1S/C10H8N2O2S/c13-9(8-4-2-1-3-5-8)14-12-10-11-6-7-15-10/h1-7H,(H,11,12)
InChIKeyCONRWUNUYUHLEM-UHFFFAOYSA-N
XLogP2.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
[[4,6-bis(benzoyloxyamino)-1,3,5-triazin-2-yl]amino] benzoate
CID 90935192
3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 154975421
(2-phenylpyrimidin-5-yl) N-(1,3-thiazol-2-yl)carbamate
CID 90300912
N-[(Z)-1-chloro-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide
CID 6172710
(quinolin-4-ylamino) benzoate
CID 23468711
N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide
CID 41113077
N-[(2R,3R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide
CID 41113076
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
1-methyl-1-phenyl-3-(1,3-thiazol-2-yl)urea
CID 34880183
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164

Frequently Asked Questions

What is the IUPAC name of (1,3-thiazol-2-ylamino) benzoate?
The IUPAC name of (1,3-thiazol-2-ylamino) benzoate (CID 174937063) is (1,3-thiazol-2-ylamino) benzoate.
What is the SMILES notation for (1,3-thiazol-2-ylamino) benzoate?
The canonical SMILES for (1,3-thiazol-2-ylamino) benzoate is O=C(ONc1nccs1)c1ccccc1.
What is the InChIKey of (1,3-thiazol-2-ylamino) benzoate?
The InChIKey is CONRWUNUYUHLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-9(8-4-2-1-3-5-8)14-12-10-11-6-7-15-10/h1-7H,(H,11,12).
What are the key properties of (1,3-thiazol-2-ylamino) benzoate?
(1,3-thiazol-2-ylamino) benzoate has a molecular weight of 220.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-thiazol-2-ylamino) benzoate is sourced from PubChem (CID 174937063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).