6-[(4-bromophenyl)methylideneamino]-5,7-dimethyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one

C15H12BrN3OS — CID 72711894

IUPAC6-[(4-bromophenyl)methylideneamino]-5,7-dimethyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
SMILESCc1nc2[nH]c(=O)sc2c(C)c1/N=C/c1ccc(Br)cc1
InChIInChI=1S/C15H12BrN3OS/c1-8-12(17-7-10-3-5-11(16)6-4-10)9(2)18-14-13(8)21-15(20)19-14/h3-7H,1-2H3,(H,18,19,20)/b17-7+
InChIKeyQPYXKKPLNZTODU-REZTVBANSA-N
MW362.25 g/mol
LogP4.11
Rot. Bonds2

About 6-[(4-bromophenyl)methylideneamino]-5,7-dimethyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one

6-[(4-bromophenyl)methylideneamino]-5,7-dimethyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one (PubChem CID 72711894) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methylideneamino]-5,7-dimethyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-[(4-bromophenyl)methylideneamino]-5,7-dimethyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
PubChem CID72711894
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC Name6-[(4-bromophenyl)methylideneamino]-5,7-dimethyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
SMILESCc1nc2[nH]c(=O)sc2c(C)c1/N=C/c1ccc(Br)cc1
InChIInChI=1S/C15H12BrN3OS/c1-8-12(17-7-10-3-5-11(16)6-4-10)9(2)18-14-13(8)21-15(20)19-14/h3-7H,1-2H3,(H,18,19,20)/b17-7+
InChIKeyQPYXKKPLNZTODU-REZTVBANSA-N
XLogP4.11
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methylideneamino]-5,7-dimethyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
The IUPAC name of 6-[(4-bromophenyl)methylideneamino]-5,7-dimethyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one (CID 72711894) is 6-[(4-bromophenyl)methylideneamino]-5,7-dimethyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-[(4-bromophenyl)methylideneamino]-5,7-dimethyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-[(4-bromophenyl)methylideneamino]-5,7-dimethyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one is Cc1nc2[nH]c(=O)sc2c(C)c1/N=C/c1ccc(Br)cc1.
What is the InChIKey of 6-[(4-bromophenyl)methylideneamino]-5,7-dimethyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
The InChIKey is QPYXKKPLNZTODU-REZTVBANSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c1-8-12(17-7-10-3-5-11(16)6-4-10)9(2)18-14-13(8)21-15(20)19-14/h3-7H,1-2H3,(H,18,19,20)/b17-7+.
What are the key properties of 6-[(4-bromophenyl)methylideneamino]-5,7-dimethyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
6-[(4-bromophenyl)methylideneamino]-5,7-dimethyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one has a molecular weight of 362.25 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methylideneamino]-5,7-dimethyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 72711894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).