N-[2-[(3S,5S)-3-cyano-5-methoxypiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide

C17H19N5O2S — CID 118178665

IUPACN-[2-[(3S,5S)-3-cyano-5-methoxypiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESCO[C@H]1C[C@H](C#N)CN(c2nc3ccnc(NC(=O)C4CC4)c3s2)C1
InChIInChI=1S/C17H19N5O2S/c1-24-12-6-10(7-18)8-22(9-12)17-20-13-4-5-19-15(14(13)25-17)21-16(23)11-2-3-11/h4-5,10-12H,2-3,6,8-9H2,1H3,(H,19,21,23)/t10-,12+/m1/s1
InChIKeyHOLAWGFNXVFYFL-PWSUYJOCSA-N
MW357.44 g/mol
LogP2.40
Rot. Bonds4

About N-[2-[(3S,5S)-3-cyano-5-methoxypiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide

N-[2-[(3S,5S)-3-cyano-5-methoxypiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide (PubChem CID 118178665) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[2-[(3S,5S)-3-cyano-5-methoxypiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3S,5S)-3-cyano-5-methoxypiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide
PubChem CID118178665
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-[2-[(3S,5S)-3-cyano-5-methoxypiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESCO[C@H]1C[C@H](C#N)CN(c2nc3ccnc(NC(=O)C4CC4)c3s2)C1
InChIInChI=1S/C17H19N5O2S/c1-24-12-6-10(7-18)8-22(9-12)17-20-13-4-5-19-15(14(13)25-17)21-16(23)11-2-3-11/h4-5,10-12H,2-3,6,8-9H2,1H3,(H,19,21,23)/t10-,12+/m1/s1
InChIKeyHOLAWGFNXVFYFL-PWSUYJOCSA-N
XLogP2.40
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[(3S,5S)-3-cyano-5-methoxypiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide 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 N-[2-[(3S,5S)-3-cyano-5-methoxypiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(3S,5S)-3-cyano-5-methoxypiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide (CID 118178665) is N-[2-[(3S,5S)-3-cyano-5-methoxypiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(3S,5S)-3-cyano-5-methoxypiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(3S,5S)-3-cyano-5-methoxypiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide is CO[C@H]1C[C@H](C#N)CN(c2nc3ccnc(NC(=O)C4CC4)c3s2)C1.
What is the InChIKey of N-[2-[(3S,5S)-3-cyano-5-methoxypiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
The InChIKey is HOLAWGFNXVFYFL-PWSUYJOCSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-24-12-6-10(7-18)8-22(9-12)17-20-13-4-5-19-15(14(13)25-17)21-16(23)11-2-3-11/h4-5,10-12H,2-3,6,8-9H2,1H3,(H,19,21,23)/t10-,12+/m1/s1.
What are the key properties of N-[2-[(3S,5S)-3-cyano-5-methoxypiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
N-[2-[(3S,5S)-3-cyano-5-methoxypiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S,5S)-3-cyano-5-methoxypiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 118178665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).