5-[2-(4-chloroanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide

C16H12ClN3O2S — CID 5276250

IUPAC5-[2-(4-chloroanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide
SMILESNC(=O)c1cc(-c2cnc(Nc3ccc(Cl)cc3)s2)ccc1O
InChIInChI=1S/C16H12ClN3O2S/c17-10-2-4-11(5-3-10)20-16-19-8-14(23-16)9-1-6-13(21)12(7-9)15(18)22/h1-8,21H,(H2,18,22)(H,19,20)
InChIKeyMPDHFDXRUGHMJL-UHFFFAOYSA-N
MW345.81 g/mol
LogP4.01
Rot. Bonds4

About 5-[2-(4-chloroanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide

5-[2-(4-chloroanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide (PubChem CID 5276250) has the molecular formula C16H12ClN3O2S and a molecular weight of 345.81 g/mol. Its IUPAC name is 5-[2-(4-chloroanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[2-(4-chloroanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide
PubChem CID5276250
Molecular FormulaC16H12ClN3O2S
Molecular Weight345.81 g/mol
Exact Mass345.03
IUPAC Name5-[2-(4-chloroanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide
SMILESNC(=O)c1cc(-c2cnc(Nc3ccc(Cl)cc3)s2)ccc1O
InChIInChI=1S/C16H12ClN3O2S/c17-10-2-4-11(5-3-10)20-16-19-8-14(23-16)9-1-6-13(21)12(7-9)15(18)22/h1-8,21H,(H2,18,22)(H,19,20)
InChIKeyMPDHFDXRUGHMJL-UHFFFAOYSA-N
XLogP4.01
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chloroanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[2-(4-chloroanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide (CID 5276250) is 5-[2-(4-chloroanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[2-(4-chloroanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[2-(4-chloroanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide is NC(=O)c1cc(-c2cnc(Nc3ccc(Cl)cc3)s2)ccc1O.
What is the InChIKey of 5-[2-(4-chloroanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide?
The InChIKey is MPDHFDXRUGHMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2S/c17-10-2-4-11(5-3-10)20-16-19-8-14(23-16)9-1-6-13(21)12(7-9)15(18)22/h1-8,21H,(H2,18,22)(H,19,20).
What are the key properties of 5-[2-(4-chloroanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide?
5-[2-(4-chloroanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide has a molecular weight of 345.81 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chloroanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide is sourced from PubChem (CID 5276250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).