5-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one

C17H17ClN2O2S — CID 54688550

IUPAC5-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one
SMILESCc1sc(-c2ccc(Cl)cc2)nc1C1=C(O)CC(C)(C)NC1=O
InChIInChI=1S/C17H17ClN2O2S/c1-9-14(13-12(21)8-17(2,3)20-15(13)22)19-16(23-9)10-4-6-11(18)7-5-10/h4-7,21H,8H2,1-3H3,(H,20,22)
InChIKeyFHWUUPFZIZCMII-UHFFFAOYSA-N
MW348.86 g/mol
LogP4.34
Rot. Bonds2

About 5-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one

5-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one (PubChem CID 54688550) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one
PubChem CID54688550
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name5-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one
SMILESCc1sc(-c2ccc(Cl)cc2)nc1C1=C(O)CC(C)(C)NC1=O
InChIInChI=1S/C17H17ClN2O2S/c1-9-14(13-12(21)8-17(2,3)20-15(13)22)19-16(23-9)10-4-6-11(18)7-5-10/h4-7,21H,8H2,1-3H3,(H,20,22)
InChIKeyFHWUUPFZIZCMII-UHFFFAOYSA-N
XLogP4.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one?
The IUPAC name of 5-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one (CID 54688550) is 5-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one.
What is the SMILES notation for 5-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one?
The canonical SMILES for 5-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one is Cc1sc(-c2ccc(Cl)cc2)nc1C1=C(O)CC(C)(C)NC1=O.
What is the InChIKey of 5-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one?
The InChIKey is FHWUUPFZIZCMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-9-14(13-12(21)8-17(2,3)20-15(13)22)19-16(23-9)10-4-6-11(18)7-5-10/h4-7,21H,8H2,1-3H3,(H,20,22).
What are the key properties of 5-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one?
5-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one has a molecular weight of 348.86 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-4-hydroxy-2,2-dimethyl-1,3-dihydropyridin-6-one is sourced from PubChem (CID 54688550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).