5,7-bis(4-chlorophenyl)-3H-[1,3]thiazolo[4,5-b]pyridin-2-one

C18H10Cl2N2OS — CID 155806273

IUPAC5,7-bis(4-chlorophenyl)-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c2s1
InChIInChI=1S/C18H10Cl2N2OS/c19-12-5-1-10(2-6-12)14-9-15(11-3-7-13(20)8-4-11)21-17-16(14)24-18(23)22-17/h1-9H,(H,21,22,23)
InChIKeyNVRMQODQTZICQC-UHFFFAOYSA-N
MW373.26 g/mol
LogP5.63
Rot. Bonds2

About 5,7-bis(4-chlorophenyl)-3H-[1,3]thiazolo[4,5-b]pyridin-2-one

5,7-bis(4-chlorophenyl)-3H-[1,3]thiazolo[4,5-b]pyridin-2-one (PubChem CID 155806273) has the molecular formula C18H10Cl2N2OS and a molecular weight of 373.26 g/mol. Its IUPAC name is 5,7-bis(4-chlorophenyl)-3H-[1,3]thiazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5,7-bis(4-chlorophenyl)-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
PubChem CID155806273
Molecular FormulaC18H10Cl2N2OS
Molecular Weight373.26 g/mol
Exact Mass371.99
IUPAC Name5,7-bis(4-chlorophenyl)-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c2s1
InChIInChI=1S/C18H10Cl2N2OS/c19-12-5-1-10(2-6-12)14-9-15(11-3-7-13(20)8-4-11)21-17-16(14)24-18(23)22-17/h1-9H,(H,21,22,23)
InChIKeyNVRMQODQTZICQC-UHFFFAOYSA-N
XLogP5.63
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.26
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(4-chlorophenyl)-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
The IUPAC name of 5,7-bis(4-chlorophenyl)-3H-[1,3]thiazolo[4,5-b]pyridin-2-one (CID 155806273) is 5,7-bis(4-chlorophenyl)-3H-[1,3]thiazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5,7-bis(4-chlorophenyl)-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 5,7-bis(4-chlorophenyl)-3H-[1,3]thiazolo[4,5-b]pyridin-2-one is O=c1[nH]c2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c2s1.
What is the InChIKey of 5,7-bis(4-chlorophenyl)-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
The InChIKey is NVRMQODQTZICQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N2OS/c19-12-5-1-10(2-6-12)14-9-15(11-3-7-13(20)8-4-11)21-17-16(14)24-18(23)22-17/h1-9H,(H,21,22,23).
What are the key properties of 5,7-bis(4-chlorophenyl)-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
5,7-bis(4-chlorophenyl)-3H-[1,3]thiazolo[4,5-b]pyridin-2-one has a molecular weight of 373.26 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(4-chlorophenyl)-3H-[1,3]thiazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 155806273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).