3-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]propanamide

C15H14N6O2S — CID 137462538

IUPAC3-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]propanamide
SMILESCOc1ncc(-c2cnn(C)c2)c2sc(NC(=O)CCC#N)nc12
InChIInChI=1S/C15H14N6O2S/c1-21-8-9(6-18-21)10-7-17-14(23-2)12-13(10)24-15(20-12)19-11(22)4-3-5-16/h6-8H,3-4H2,1-2H3,(H,19,20,22)
InChIKeyKVOQLGDJDSTGTE-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.34
Rot. Bonds5

About 3-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]propanamide

3-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]propanamide (PubChem CID 137462538) has the molecular formula C15H14N6O2S and a molecular weight of 342.38 g/mol. Its IUPAC name is 3-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]propanamide.

Molecular Properties

Compound Name3-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]propanamide
PubChem CID137462538
Molecular FormulaC15H14N6O2S
Molecular Weight342.38 g/mol
Exact Mass342.09
IUPAC Name3-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]propanamide
SMILESCOc1ncc(-c2cnn(C)c2)c2sc(NC(=O)CCC#N)nc12
InChIInChI=1S/C15H14N6O2S/c1-21-8-9(6-18-21)10-7-17-14(23-2)12-13(10)24-15(20-12)19-11(22)4-3-5-16/h6-8H,3-4H2,1-2H3,(H,19,20,22)
InChIKeyKVOQLGDJDSTGTE-UHFFFAOYSA-N
XLogP2.34
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]propanamide?
The IUPAC name of 3-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]propanamide (CID 137462538) is 3-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]propanamide.
What is the SMILES notation for 3-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]propanamide?
The canonical SMILES for 3-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]propanamide is COc1ncc(-c2cnn(C)c2)c2sc(NC(=O)CCC#N)nc12.
What is the InChIKey of 3-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]propanamide?
The InChIKey is KVOQLGDJDSTGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2S/c1-21-8-9(6-18-21)10-7-17-14(23-2)12-13(10)24-15(20-12)19-11(22)4-3-5-16/h6-8H,3-4H2,1-2H3,(H,19,20,22).
What are the key properties of 3-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]propanamide?
3-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]propanamide has a molecular weight of 342.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]propanamide is sourced from PubChem (CID 137462538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).