2-(4-chlorophenyl)-5-[3-methoxy-4-(1-propan-2-ylazetidin-3-yl)oxyphenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C25H26ClN3O3S — CID 24991164

IUPAC2-(4-chlorophenyl)-5-[3-methoxy-4-(1-propan-2-ylazetidin-3-yl)oxyphenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCOc1cc(N2CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OC1CN(C(C)C)C1
InChIInChI=1S/C25H26ClN3O3S/c1-15(2)28-13-19(14-28)32-21-9-8-18(12-22(21)31-3)29-11-10-20-23(25(29)30)33-24(27-20)16-4-6-17(26)7-5-16/h4-9,12,15,19H,10-11,13-14H2,1-3H3
InChIKeyUMLSTPKUDBHCJL-UHFFFAOYSA-N
MW484.02 g/mol
LogP5.15
Rot. Bonds6

About 2-(4-chlorophenyl)-5-[3-methoxy-4-(1-propan-2-ylazetidin-3-yl)oxyphenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

2-(4-chlorophenyl)-5-[3-methoxy-4-(1-propan-2-ylazetidin-3-yl)oxyphenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 24991164) has the molecular formula C25H26ClN3O3S and a molecular weight of 484.02 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[3-methoxy-4-(1-propan-2-ylazetidin-3-yl)oxyphenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[3-methoxy-4-(1-propan-2-ylazetidin-3-yl)oxyphenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID24991164
Molecular FormulaC25H26ClN3O3S
Molecular Weight484.02 g/mol
Exact Mass483.14
IUPAC Name2-(4-chlorophenyl)-5-[3-methoxy-4-(1-propan-2-ylazetidin-3-yl)oxyphenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCOc1cc(N2CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OC1CN(C(C)C)C1
InChIInChI=1S/C25H26ClN3O3S/c1-15(2)28-13-19(14-28)32-21-9-8-18(12-22(21)31-3)29-11-10-20-23(25(29)30)33-24(27-20)16-4-6-17(26)7-5-16/h4-9,12,15,19H,10-11,13-14H2,1-3H3
InChIKeyUMLSTPKUDBHCJL-UHFFFAOYSA-N
XLogP5.15
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.02
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenyl)-5-[3-methoxy-4-(1-propan-2-ylazetidin-3-yl)oxyphenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[3-methoxy-4-(1-propan-2-ylazetidin-3-yl)oxyphenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5-[3-methoxy-4-(1-propan-2-ylazetidin-3-yl)oxyphenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 24991164) is 2-(4-chlorophenyl)-5-[3-methoxy-4-(1-propan-2-ylazetidin-3-yl)oxyphenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[3-methoxy-4-(1-propan-2-ylazetidin-3-yl)oxyphenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-[3-methoxy-4-(1-propan-2-ylazetidin-3-yl)oxyphenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is COc1cc(N2CCc3nc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OC1CN(C(C)C)C1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[3-methoxy-4-(1-propan-2-ylazetidin-3-yl)oxyphenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is UMLSTPKUDBHCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3S/c1-15(2)28-13-19(14-28)32-21-9-8-18(12-22(21)31-3)29-11-10-20-23(25(29)30)33-24(27-20)16-4-6-17(26)7-5-16/h4-9,12,15,19H,10-11,13-14H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-5-[3-methoxy-4-(1-propan-2-ylazetidin-3-yl)oxyphenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-(4-chlorophenyl)-5-[3-methoxy-4-(1-propan-2-ylazetidin-3-yl)oxyphenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 484.02 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[3-methoxy-4-(1-propan-2-ylazetidin-3-yl)oxyphenyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 24991164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).