6-methyl-5-[(2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carbonyl)amino]pyridine-3-carboxylic acid

C18H13N5O3S — CID 164547116

IUPAC6-methyl-5-[(2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)cc1NC(=O)c1cnn2cc(-c3ccccn3)sc12
InChIInChI=1S/C18H13N5O3S/c1-10-14(6-11(7-20-10)18(25)26)22-16(24)12-8-21-23-9-15(27-17(12)23)13-4-2-3-5-19-13/h2-9H,1H3,(H,22,24)(H,25,26)
InChIKeyUSIYWGFMDSMDTI-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.11
Rot. Bonds4

About 6-methyl-5-[(2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carbonyl)amino]pyridine-3-carboxylic acid

6-methyl-5-[(2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 164547116) has the molecular formula C18H13N5O3S and a molecular weight of 379.40 g/mol. Its IUPAC name is 6-methyl-5-[(2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5-[(2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID164547116
Molecular FormulaC18H13N5O3S
Molecular Weight379.40 g/mol
Exact Mass379.07
IUPAC Name6-methyl-5-[(2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)cc1NC(=O)c1cnn2cc(-c3ccccn3)sc12
InChIInChI=1S/C18H13N5O3S/c1-10-14(6-11(7-20-10)18(25)26)22-16(24)12-8-21-23-9-15(27-17(12)23)13-4-2-3-5-19-13/h2-9H,1H3,(H,22,24)(H,25,26)
InChIKeyUSIYWGFMDSMDTI-UHFFFAOYSA-N
XLogP3.11
TPSA109.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-5-[(2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carbonyl)amino]pyridine-3-carboxylic acid (CID 164547116) is 6-methyl-5-[(2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-5-[(2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-5-[(2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carbonyl)amino]pyridine-3-carboxylic acid is Cc1ncc(C(=O)O)cc1NC(=O)c1cnn2cc(-c3ccccn3)sc12.
What is the InChIKey of 6-methyl-5-[(2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is USIYWGFMDSMDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3S/c1-10-14(6-11(7-20-10)18(25)26)22-16(24)12-8-21-23-9-15(27-17(12)23)13-4-2-3-5-19-13/h2-9H,1H3,(H,22,24)(H,25,26).
What are the key properties of 6-methyl-5-[(2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carbonyl)amino]pyridine-3-carboxylic acid?
6-methyl-5-[(2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 379.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(2-pyridin-2-ylpyrazolo[5,1-b][1,3]thiazole-7-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 164547116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).