6-bromo-4-(3-chlorophenyl)-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one

C14H10BrClN2O2S — CID 163253600

IUPAC6-bromo-4-(3-chlorophenyl)-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCCOc1nc2c(cc(Br)c(=O)n2-c2cccc(Cl)c2)s1
InChIInChI=1S/C14H10BrClN2O2S/c1-2-20-14-17-12-11(21-14)7-10(15)13(19)18(12)9-5-3-4-8(16)6-9/h3-7H,2H2,1H3
InChIKeyMWCLGRBAZRXVCP-UHFFFAOYSA-N
MW385.67 g/mol
LogP4.26
Rot. Bonds3

About 6-bromo-4-(3-chlorophenyl)-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one

6-bromo-4-(3-chlorophenyl)-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 163253600) has the molecular formula C14H10BrClN2O2S and a molecular weight of 385.67 g/mol. Its IUPAC name is 6-bromo-4-(3-chlorophenyl)-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name6-bromo-4-(3-chlorophenyl)-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID163253600
Molecular FormulaC14H10BrClN2O2S
Molecular Weight385.67 g/mol
Exact Mass383.93
IUPAC Name6-bromo-4-(3-chlorophenyl)-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCCOc1nc2c(cc(Br)c(=O)n2-c2cccc(Cl)c2)s1
InChIInChI=1S/C14H10BrClN2O2S/c1-2-20-14-17-12-11(21-14)7-10(15)13(19)18(12)9-5-3-4-8(16)6-9/h3-7H,2H2,1H3
InChIKeyMWCLGRBAZRXVCP-UHFFFAOYSA-N
XLogP4.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(3-chlorophenyl)-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 6-bromo-4-(3-chlorophenyl)-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 163253600) is 6-bromo-4-(3-chlorophenyl)-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 6-bromo-4-(3-chlorophenyl)-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 6-bromo-4-(3-chlorophenyl)-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one is CCOc1nc2c(cc(Br)c(=O)n2-c2cccc(Cl)c2)s1.
What is the InChIKey of 6-bromo-4-(3-chlorophenyl)-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is MWCLGRBAZRXVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2S/c1-2-20-14-17-12-11(21-14)7-10(15)13(19)18(12)9-5-3-4-8(16)6-9/h3-7H,2H2,1H3.
What are the key properties of 6-bromo-4-(3-chlorophenyl)-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one?
6-bromo-4-(3-chlorophenyl)-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 385.67 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(3-chlorophenyl)-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 163253600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).