N-[(2,4-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide

C16H15N3O2S — CID 70650690

IUPACN-[(2,4-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)n2sc3ncccc3c2=O)c(C)c1
InChIInChI=1S/C16H15N3O2S/c1-10-5-6-12(11(2)8-10)9-18-16(21)19-15(20)13-4-3-7-17-14(13)22-19/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyXGYDIPFHSCXZPS-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.83
Rot. Bonds2

About N-[(2,4-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide

N-[(2,4-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide (PubChem CID 70650690) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
PubChem CID70650690
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)n2sc3ncccc3c2=O)c(C)c1
InChIInChI=1S/C16H15N3O2S/c1-10-5-6-12(11(2)8-10)9-18-16(21)19-15(20)13-4-3-7-17-14(13)22-19/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyXGYDIPFHSCXZPS-UHFFFAOYSA-N
XLogP2.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide (CID 70650690) is N-[(2,4-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide is Cc1ccc(CNC(=O)n2sc3ncccc3c2=O)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The InChIKey is XGYDIPFHSCXZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-5-6-12(11(2)8-10)9-18-16(21)19-15(20)13-4-3-7-17-14(13)22-19/h3-8H,9H2,1-2H3,(H,18,21).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
N-[(2,4-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide is sourced from PubChem (CID 70650690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).