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

C11H9ClN2O2S — CID 57380207

IUPAC(2-amino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate
SMILESNc1nc(COC(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C11H9ClN2O2S/c12-8-3-1-7(2-4-8)10(15)16-5-9-6-17-11(13)14-9/h1-4,6H,5H2,(H2,13,14)
InChIKeyGNSIUUMVIQRUMU-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.74
Rot. Bonds3

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

(2-amino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate (PubChem CID 57380207) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate
PubChem CID57380207
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Name(2-amino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate
SMILESNc1nc(COC(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C11H9ClN2O2S/c12-8-3-1-7(2-4-8)10(15)16-5-9-6-17-11(13)14-9/h1-4,6H,5H2,(H2,13,14)
InChIKeyGNSIUUMVIQRUMU-UHFFFAOYSA-N
XLogP2.74
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate (CID 57380207) is (2-amino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate is Nc1nc(COC(=O)c2ccc(Cl)cc2)cs1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate?
The InChIKey is GNSIUUMVIQRUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c12-8-3-1-7(2-4-8)10(15)16-5-9-6-17-11(13)14-9/h1-4,6H,5H2,(H2,13,14).
What are the key properties of (2-amino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate?
(2-amino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate has a molecular weight of 268.73 g/mol, XLogP of 2.74, 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 4-chlorobenzoate is sourced from PubChem (CID 57380207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).