[2-(2-amino-1,3-thiazole-4-carbonyl)phenyl] acetate

C12H10N2O3S — CID 154137862

IUPAC[2-(2-amino-1,3-thiazole-4-carbonyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)c1csc(N)n1
InChIInChI=1S/C12H10N2O3S/c1-7(15)17-10-5-3-2-4-8(10)11(16)9-6-18-12(13)14-9/h2-6H,1H3,(H2,13,14)
InChIKeyWGHABXLDALMXOA-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.88
Rot. Bonds3

About [2-(2-amino-1,3-thiazole-4-carbonyl)phenyl] acetate

[2-(2-amino-1,3-thiazole-4-carbonyl)phenyl] acetate (PubChem CID 154137862) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is [2-(2-amino-1,3-thiazole-4-carbonyl)phenyl] acetate.

Molecular Properties

Compound Name[2-(2-amino-1,3-thiazole-4-carbonyl)phenyl] acetate
PubChem CID154137862
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name[2-(2-amino-1,3-thiazole-4-carbonyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)c1csc(N)n1
InChIInChI=1S/C12H10N2O3S/c1-7(15)17-10-5-3-2-4-8(10)11(16)9-6-18-12(13)14-9/h2-6H,1H3,(H2,13,14)
InChIKeyWGHABXLDALMXOA-UHFFFAOYSA-N
XLogP1.88
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-oxo-4H-chromene-2-carboxamido)thiazole-4-carboxylate
CID 3386436
Ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 3548924
[2-[[4-(Trifluoromethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 57394845
3-(2-Aminothiazol-4-yl)-2h-chromen-2-one
CID 618431
N-(4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide
CID 41548926
4-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)chromene-2-carboxamide
CID 41588384
N-[4-(2-methylpropyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide
CID 168287757
[2-[(5-Bromo-4-methyl-thiazol-2-yl)carbamoyl]phenyl] acetate
CID 11956438
2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 695180
4H-1-Benzopyran-4-one, 3-(2-amino-4-thiazolyl)-2-methyl-
CID 59897
4H-1-Benzopyran-4-one, 3-(2-amino-4-thiazolyl)-2,6-dimethyl-
CID 59898
Ethyl 2-[2-[(2-acetoxybenzoyl)amino]thiazol-4-yl]acetate
CID 5185384

Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-1,3-thiazole-4-carbonyl)phenyl] acetate?
The IUPAC name of [2-(2-amino-1,3-thiazole-4-carbonyl)phenyl] acetate (CID 154137862) is [2-(2-amino-1,3-thiazole-4-carbonyl)phenyl] acetate.
What is the SMILES notation for [2-(2-amino-1,3-thiazole-4-carbonyl)phenyl] acetate?
The canonical SMILES for [2-(2-amino-1,3-thiazole-4-carbonyl)phenyl] acetate is CC(=O)Oc1ccccc1C(=O)c1csc(N)n1.
What is the InChIKey of [2-(2-amino-1,3-thiazole-4-carbonyl)phenyl] acetate?
The InChIKey is WGHABXLDALMXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-7(15)17-10-5-3-2-4-8(10)11(16)9-6-18-12(13)14-9/h2-6H,1H3,(H2,13,14).
What are the key properties of [2-(2-amino-1,3-thiazole-4-carbonyl)phenyl] acetate?
[2-(2-amino-1,3-thiazole-4-carbonyl)phenyl] acetate has a molecular weight of 262.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-amino-1,3-thiazole-4-carbonyl)phenyl] acetate is sourced from PubChem (CID 154137862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).