2-methyl-N-[5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrazole-3-carboxamide

C18H15N5OS — CID 166871048

IUPAC2-methyl-N-[5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrazole-3-carboxamide
SMILESCc1ccccc1-c1ccc2sc(NC(=O)c3ccnn3C)nc2n1
InChIInChI=1S/C18H15N5OS/c1-11-5-3-4-6-12(11)13-7-8-15-16(20-13)21-18(25-15)22-17(24)14-9-10-19-23(14)2/h3-10H,1-2H3,(H,20,21,22,24)
InChIKeyDAOXZFXTBMHJHB-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.65
Rot. Bonds3

About 2-methyl-N-[5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrazole-3-carboxamide

2-methyl-N-[5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrazole-3-carboxamide (PubChem CID 166871048) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-methyl-N-[5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrazole-3-carboxamide
PubChem CID166871048
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name2-methyl-N-[5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrazole-3-carboxamide
SMILESCc1ccccc1-c1ccc2sc(NC(=O)c3ccnn3C)nc2n1
InChIInChI=1S/C18H15N5OS/c1-11-5-3-4-6-12(11)13-7-8-15-16(20-13)21-18(25-15)22-17(24)14-9-10-19-23(14)2/h3-10H,1-2H3,(H,20,21,22,24)
InChIKeyDAOXZFXTBMHJHB-UHFFFAOYSA-N
XLogP3.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-aminophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-methylpyrazole-3-carboxamide
CID 166870985
2-methyl-N-[5-[2-(2-methylpropanoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrazole-3-carboxamide
CID 166871074
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110481
2-methyl-N-[6-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrazole-3-carboxamide
CID 168854111
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
CID 25284529
N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 110467037
N-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide
CID 1235992
N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 16952689
3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 78897554
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 64558266
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide
CID 25284514

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrazole-3-carboxamide (CID 166871048) is 2-methyl-N-[5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrazole-3-carboxamide is Cc1ccccc1-c1ccc2sc(NC(=O)c3ccnn3C)nc2n1.
What is the InChIKey of 2-methyl-N-[5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrazole-3-carboxamide?
The InChIKey is DAOXZFXTBMHJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-11-5-3-4-6-12(11)13-7-8-15-16(20-13)21-18(25-15)22-17(24)14-9-10-19-23(14)2/h3-10H,1-2H3,(H,20,21,22,24).
What are the key properties of 2-methyl-N-[5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrazole-3-carboxamide?
2-methyl-N-[5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrazole-3-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 166871048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).