2-N-cyclopropyl-4-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-2,4-dicarboxamide

C16H13N5O2S — CID 141452988

IUPAC2-N-cyclopropyl-4-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1nc2cnccc2s1)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H13N5O2S/c22-14(21-16-20-12-8-17-5-4-13(12)24-16)9-3-6-18-11(7-9)15(23)19-10-1-2-10/h3-8,10H,1-2H2,(H,19,23)(H,20,21,22)
InChIKeyAGTUDEMCTQDYLD-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.23
Rot. Bonds4

About 2-N-cyclopropyl-4-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-2,4-dicarboxamide

2-N-cyclopropyl-4-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-2,4-dicarboxamide (PubChem CID 141452988) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-2,4-dicarboxamide
PubChem CID141452988
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Name2-N-cyclopropyl-4-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1nc2cnccc2s1)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H13N5O2S/c22-14(21-16-20-12-8-17-5-4-13(12)24-16)9-3-6-18-11(7-9)15(23)19-10-1-2-10/h3-8,10H,1-2H2,(H,19,23)(H,20,21,22)
InChIKeyAGTUDEMCTQDYLD-UHFFFAOYSA-N
XLogP2.23
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-cyclopropyl-4-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-2,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-cyclopropyl-4-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-2,4-dicarboxamide (CID 141452988) is 2-N-cyclopropyl-4-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-cyclopropyl-4-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-cyclopropyl-4-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-2,4-dicarboxamide is O=C(Nc1nc2cnccc2s1)c1ccnc(C(=O)NC2CC2)c1.
What is the InChIKey of 2-N-cyclopropyl-4-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-2,4-dicarboxamide?
The InChIKey is AGTUDEMCTQDYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c22-14(21-16-20-12-8-17-5-4-13(12)24-16)9-3-6-18-11(7-9)15(23)19-10-1-2-10/h3-8,10H,1-2H2,(H,19,23)(H,20,21,22).
What are the key properties of 2-N-cyclopropyl-4-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-2,4-dicarboxamide?
2-N-cyclopropyl-4-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-2,4-dicarboxamide has a molecular weight of 339.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-N-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 141452988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).