N-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide

C17H14N6OS — CID 166870985

IUPACN-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1nc2ccc(-c3ccccc3N)nc2s1
InChIInChI=1S/C17H14N6OS/c1-23-14(8-9-19-23)15(24)22-17-21-13-7-6-12(20-16(13)25-17)10-4-2-3-5-11(10)18/h2-9H,18H2,1H3,(H,21,22,24)
InChIKeyFGFHDXXUFBSARG-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.93
Rot. Bonds3

About N-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide

N-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 166870985) has the molecular formula C17H14N6OS and a molecular weight of 350.41 g/mol. Its IUPAC name is N-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide
PubChem CID166870985
Molecular FormulaC17H14N6OS
Molecular Weight350.41 g/mol
Exact Mass350.09
IUPAC NameN-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1nc2ccc(-c3ccccc3N)nc2s1
InChIInChI=1S/C17H14N6OS/c1-23-14(8-9-19-23)15(24)22-17-21-13-7-6-12(20-16(13)25-17)10-4-2-3-5-11(10)18/h2-9H,18H2,1H3,(H,21,22,24)
InChIKeyFGFHDXXUFBSARG-UHFFFAOYSA-N
XLogP2.93
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide (CID 166870985) is N-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1nc2ccc(-c3ccccc3N)nc2s1.
What is the InChIKey of N-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is FGFHDXXUFBSARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6OS/c1-23-14(8-9-19-23)15(24)22-17-21-13-7-6-12(20-16(13)25-17)10-4-2-3-5-11(10)18/h2-9H,18H2,1H3,(H,21,22,24).
What are the key properties of N-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide?
N-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 350.41 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166870985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).