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

C17H19N5OS — CID 123251520

IUPACN-[2-(3-cyano-2-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESCC1C(C#N)CCCN1c1nc2ccnc(NC(=O)C3CC3)c2s1
InChIInChI=1S/C17H19N5OS/c1-10-12(9-18)3-2-8-22(10)17-20-13-6-7-19-15(14(13)24-17)21-16(23)11-4-5-11/h6-7,10-12H,2-5,8H2,1H3,(H,19,21,23)
InChIKeyFBFDFMWVYBGFQC-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.17
Rot. Bonds3

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

N-[2-(3-cyano-2-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide (PubChem CID 123251520) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[2-(3-cyano-2-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-cyano-2-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide
PubChem CID123251520
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-[2-(3-cyano-2-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESCC1C(C#N)CCCN1c1nc2ccnc(NC(=O)C3CC3)c2s1
InChIInChI=1S/C17H19N5OS/c1-10-12(9-18)3-2-8-22(10)17-20-13-6-7-19-15(14(13)24-17)21-16(23)11-4-5-11/h6-7,10-12H,2-5,8H2,1H3,(H,19,21,23)
InChIKeyFBFDFMWVYBGFQC-UHFFFAOYSA-N
XLogP3.17
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyano-2-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(3-cyano-2-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide (CID 123251520) is N-[2-(3-cyano-2-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3-cyano-2-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3-cyano-2-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide is CC1C(C#N)CCCN1c1nc2ccnc(NC(=O)C3CC3)c2s1.
What is the InChIKey of N-[2-(3-cyano-2-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
The InChIKey is FBFDFMWVYBGFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-10-12(9-18)3-2-8-22(10)17-20-13-6-7-19-15(14(13)24-17)21-16(23)11-4-5-11/h6-7,10-12H,2-5,8H2,1H3,(H,19,21,23).
What are the key properties of N-[2-(3-cyano-2-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
N-[2-(3-cyano-2-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyano-2-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 123251520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).