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

C17H17N5OS — CID 172903534

IUPACN-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1CCN(c2nc3cnccc3s2)CC1)c1ccncc1
InChIInChI=1S/C17H17N5OS/c23-16(12-1-6-18-7-2-12)20-13-4-9-22(10-5-13)17-21-14-11-19-8-3-15(14)24-17/h1-3,6-8,11,13H,4-5,9-10H2,(H,20,23)
InChIKeyFUDPOMIPNBRWPX-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.49
Rot. Bonds3

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

N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide (PubChem CID 172903534) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide
PubChem CID172903534
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1CCN(c2nc3cnccc3s2)CC1)c1ccncc1
InChIInChI=1S/C17H17N5OS/c23-16(12-1-6-18-7-2-12)20-13-4-9-22(10-5-13)17-21-14-11-19-8-3-15(14)24-17/h1-3,6-8,11,13H,4-5,9-10H2,(H,20,23)
InChIKeyFUDPOMIPNBRWPX-UHFFFAOYSA-N
XLogP2.49
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide (CID 172903534) is N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide is O=C(NC1CCN(c2nc3cnccc3s2)CC1)c1ccncc1.
What is the InChIKey of N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide?
The InChIKey is FUDPOMIPNBRWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c23-16(12-1-6-18-7-2-12)20-13-4-9-22(10-5-13)17-21-14-11-19-8-3-15(14)24-17/h1-3,6-8,11,13H,4-5,9-10H2,(H,20,23).
What are the key properties of N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide?
N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 172903534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).