(2-amino-1,3-thiazol-4-yl)methyl benzoate

C11H10N2O2S — CID 57379970

IUPAC(2-amino-1,3-thiazol-4-yl)methyl benzoate
SMILESNc1nc(COC(=O)c2ccccc2)cs1
InChIInChI=1S/C11H10N2O2S/c12-11-13-9(7-16-11)6-15-10(14)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13)
InChIKeyGNZINUYIHXYHSR-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.08
Rot. Bonds3

About (2-amino-1,3-thiazol-4-yl)methyl benzoate

(2-amino-1,3-thiazol-4-yl)methyl benzoate (PubChem CID 57379970) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)methyl benzoate.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)methyl benzoate
PubChem CID57379970
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name(2-amino-1,3-thiazol-4-yl)methyl benzoate
SMILESNc1nc(COC(=O)c2ccccc2)cs1
InChIInChI=1S/C11H10N2O2S/c12-11-13-9(7-16-11)6-15-10(14)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13)
InChIKeyGNZINUYIHXYHSR-UHFFFAOYSA-N
XLogP2.08
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 2060012
CID 2060012
CID 145962902
CID 145962902
CID 2706471
CID 2706471
CID 2706473
CID 2706473
CID 2764233
CID 2764233
CID 2540827
CID 2540827
CID 57379729
CID 57379729
CID 57379730
CID 57379730
CID 57379731
CID 57379731
CID 57379732
CID 57379732
CID 57379733
CID 57379733
CID 57379734
CID 57379734

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)methyl benzoate?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)methyl benzoate (CID 57379970) is (2-amino-1,3-thiazol-4-yl)methyl benzoate.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)methyl benzoate?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)methyl benzoate is Nc1nc(COC(=O)c2ccccc2)cs1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)methyl benzoate?
The InChIKey is GNZINUYIHXYHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c12-11-13-9(7-16-11)6-15-10(14)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13).
What are the key properties of (2-amino-1,3-thiazol-4-yl)methyl benzoate?
(2-amino-1,3-thiazol-4-yl)methyl benzoate has a molecular weight of 234.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)methyl benzoate is sourced from PubChem (CID 57379970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).