N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-piperidin-1-ylpyridine-3-carboxamide

C19H20N4O2S — CID 11581455

IUPACN-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2sc(CO)nc2c1)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C19H20N4O2S/c24-12-18-22-15-10-14(5-6-16(15)26-18)21-19(25)13-4-7-17(20-11-13)23-8-2-1-3-9-23/h4-7,10-11,24H,1-3,8-9,12H2,(H,21,25)
InChIKeyNIIRBVLOESJQIO-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.43
Rot. Bonds4

About N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-piperidin-1-ylpyridine-3-carboxamide

N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 11581455) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-piperidin-1-ylpyridine-3-carboxamide
PubChem CID11581455
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2sc(CO)nc2c1)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C19H20N4O2S/c24-12-18-22-15-10-14(5-6-16(15)26-18)21-19(25)13-4-7-17(20-11-13)23-8-2-1-3-9-23/h4-7,10-11,24H,1-3,8-9,12H2,(H,21,25)
InChIKeyNIIRBVLOESJQIO-UHFFFAOYSA-N
XLogP3.43
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-piperidin-1-ylpyridine-3-carboxamide 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-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-piperidin-1-ylpyridine-3-carboxamide (CID 11581455) is N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-piperidin-1-ylpyridine-3-carboxamide is O=C(Nc1ccc2sc(CO)nc2c1)c1ccc(N2CCCCC2)nc1.
What is the InChIKey of N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is NIIRBVLOESJQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-12-18-22-15-10-14(5-6-16(15)26-18)21-19(25)13-4-7-17(20-11-13)23-8-2-1-3-9-23/h4-7,10-11,24H,1-3,8-9,12H2,(H,21,25).
What are the key properties of N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-piperidin-1-ylpyridine-3-carboxamide?
N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 11581455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).