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

C17H13ClN2O2S — CID 2347498

IUPAC(2-anilino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate
SMILESO=C(OCc1csc(Nc2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O2S/c18-13-8-6-12(7-9-13)16(21)22-10-15-11-23-17(20-15)19-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,20)
InChIKeyGNURDSUHZNMDGV-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.90
Rot. Bonds5

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

(2-anilino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate (PubChem CID 2347498) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is (2-anilino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate.

Molecular Properties

Compound Name(2-anilino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate
PubChem CID2347498
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name(2-anilino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate
SMILESO=C(OCc1csc(Nc2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O2S/c18-13-8-6-12(7-9-13)16(21)22-10-15-11-23-17(20-15)19-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,20)
InChIKeyGNURDSUHZNMDGV-UHFFFAOYSA-N
XLogP4.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate?
The IUPAC name of (2-anilino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate (CID 2347498) is (2-anilino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate.
What is the SMILES notation for (2-anilino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate?
The canonical SMILES for (2-anilino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate is O=C(OCc1csc(Nc2ccccc2)n1)c1ccc(Cl)cc1.
What is the InChIKey of (2-anilino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate?
The InChIKey is GNURDSUHZNMDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c18-13-8-6-12(7-9-13)16(21)22-10-15-11-23-17(20-15)19-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,20).
What are the key properties of (2-anilino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate?
(2-anilino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate has a molecular weight of 344.82 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-1,3-thiazol-4-yl)methyl 4-chlorobenzoate is sourced from PubChem (CID 2347498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).