3-chloro-4-hydroxy-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]benzamide

C16H13ClN4O2S — CID 91767880

IUPAC3-chloro-4-hydroxy-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1csc(-c2ncccn2)n1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C16H13ClN4O2S/c17-12-8-10(2-3-13(12)22)15(23)20-7-4-11-9-24-16(21-11)14-18-5-1-6-19-14/h1-3,5-6,8-9,22H,4,7H2,(H,20,23)
InChIKeyLAQUJGFXQLDEPK-UHFFFAOYSA-N
MW360.83 g/mol
LogP2.93
Rot. Bonds5

About 3-chloro-4-hydroxy-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]benzamide

3-chloro-4-hydroxy-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 91767880) has the molecular formula C16H13ClN4O2S and a molecular weight of 360.83 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID91767880
Molecular FormulaC16H13ClN4O2S
Molecular Weight360.83 g/mol
Exact Mass360.04
IUPAC Name3-chloro-4-hydroxy-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1csc(-c2ncccn2)n1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C16H13ClN4O2S/c17-12-8-10(2-3-13(12)22)15(23)20-7-4-11-9-24-16(21-11)14-18-5-1-6-19-14/h1-3,5-6,8-9,22H,4,7H2,(H,20,23)
InChIKeyLAQUJGFXQLDEPK-UHFFFAOYSA-N
XLogP2.93
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]benzamide (CID 91767880) is 3-chloro-4-hydroxy-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]benzamide is O=C(NCCc1csc(-c2ncccn2)n1)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is LAQUJGFXQLDEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2S/c17-12-8-10(2-3-13(12)22)15(23)20-7-4-11-9-24-16(21-11)14-18-5-1-6-19-14/h1-3,5-6,8-9,22H,4,7H2,(H,20,23).
What are the key properties of 3-chloro-4-hydroxy-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]benzamide?
3-chloro-4-hydroxy-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 360.83 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 91767880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).