4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyridin-2-one

C14H9ClN2OS — CID 118709512

IUPAC4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)cc[nH]1
InChIInChI=1S/C14H9ClN2OS/c15-11-3-1-9(2-4-11)12-8-19-14(17-12)10-5-6-16-13(18)7-10/h1-8H,(H,16,18)
InChIKeyFSPNROZNJUDNQN-UHFFFAOYSA-N
MW288.76 g/mol
LogP3.82
Rot. Bonds2

About 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyridin-2-one

4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyridin-2-one (PubChem CID 118709512) has the molecular formula C14H9ClN2OS and a molecular weight of 288.76 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyridin-2-one
PubChem CID118709512
Molecular FormulaC14H9ClN2OS
Molecular Weight288.76 g/mol
Exact Mass288.01
IUPAC Name4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)cc[nH]1
InChIInChI=1S/C14H9ClN2OS/c15-11-3-1-9(2-4-11)12-8-19-14(17-12)10-5-6-16-13(18)7-10/h1-8H,(H,16,18)
InChIKeyFSPNROZNJUDNQN-UHFFFAOYSA-N
XLogP3.82
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyridin-2-one (CID 118709512) is 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyridin-2-one is O=c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)cc[nH]1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyridin-2-one?
The InChIKey is FSPNROZNJUDNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2OS/c15-11-3-1-9(2-4-11)12-8-19-14(17-12)10-5-6-16-13(18)7-10/h1-8H,(H,16,18).
What are the key properties of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyridin-2-one?
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyridin-2-one has a molecular weight of 288.76 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 118709512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).