5,7-dimethyl-6-phenyldiazenyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one

C14H12N4OS — CID 76850221

IUPAC5,7-dimethyl-6-phenyldiazenyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
SMILESCc1nc2[nH]c(=O)sc2c(C)c1/N=N/c1ccccc1
InChIInChI=1S/C14H12N4OS/c1-8-11(18-17-10-6-4-3-5-7-10)9(2)15-13-12(8)20-14(19)16-13/h3-7H,1-2H3,(H,15,16,19)/b18-17+
InChIKeyDXCKYQTYXQECHF-ISLYRVAYSA-N
MW284.34 g/mol
LogP4.02
Rot. Bonds2

About 5,7-dimethyl-6-phenyldiazenyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one

5,7-dimethyl-6-phenyldiazenyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one (PubChem CID 76850221) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 5,7-dimethyl-6-phenyldiazenyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5,7-dimethyl-6-phenyldiazenyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
PubChem CID76850221
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name5,7-dimethyl-6-phenyldiazenyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
SMILESCc1nc2[nH]c(=O)sc2c(C)c1/N=N/c1ccccc1
InChIInChI=1S/C14H12N4OS/c1-8-11(18-17-10-6-4-3-5-7-10)9(2)15-13-12(8)20-14(19)16-13/h3-7H,1-2H3,(H,15,16,19)/b18-17+
InChIKeyDXCKYQTYXQECHF-ISLYRVAYSA-N
XLogP4.02
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-phenyldiazenyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
The IUPAC name of 5,7-dimethyl-6-phenyldiazenyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one (CID 76850221) is 5,7-dimethyl-6-phenyldiazenyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5,7-dimethyl-6-phenyldiazenyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 5,7-dimethyl-6-phenyldiazenyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one is Cc1nc2[nH]c(=O)sc2c(C)c1/N=N/c1ccccc1.
What is the InChIKey of 5,7-dimethyl-6-phenyldiazenyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
The InChIKey is DXCKYQTYXQECHF-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-8-11(18-17-10-6-4-3-5-7-10)9(2)15-13-12(8)20-14(19)16-13/h3-7H,1-2H3,(H,15,16,19)/b18-17+.
What are the key properties of 5,7-dimethyl-6-phenyldiazenyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
5,7-dimethyl-6-phenyldiazenyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one has a molecular weight of 284.34 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-phenyldiazenyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 76850221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).