N-(1,3-benzothiazol-6-yl)-4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide

C19H20N4O2S — CID 97268082

About N-(1,3-benzothiazol-6-yl)-4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide

N-(1,3-benzothiazol-6-yl)-4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 97268082) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-6-yl)-4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
• PubChem CID: 97268082
• Molecular Formula: C19H20N4O2S
• Molecular Weight: 368.46 g/mol
• Exact Mass: 368.13
• IUPAC Name: N-(1,3-benzothiazol-6-yl)-4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
• SMILES: O=C(Nc1ccc2ncsc2c1)N1CCC([C@@H](O)c2ccccn2)CC1
• InChI: InChI=1S/C19H20N4O2S/c24-18(16-3-1-2-8-20-16)13-6-9-23(10-7-13)19(25)22-14-4-5-15-17(11-14)26-12-21-15/h1-5,8,11-13,18,24H,6-7,9-10H2,(H,22,25)/t18-/m1/s1
• InChIKey: BVBMENRCJJZUJL-GOSISDBHSA-N
• XLogP: 3.67
• TPSA: 78.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.46
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide?

The IUPAC name of N-(1,3-benzothiazol-6-yl)-4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide (CID 97268082) is N-(1,3-benzothiazol-6-yl)-4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide.

What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide?

The canonical SMILES for N-(1,3-benzothiazol-6-yl)-4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide is O=C(Nc1ccc2ncsc2c1)N1CCC([C@@H](O)c2ccccn2)CC1.

What is the InChIKey of N-(1,3-benzothiazol-6-yl)-4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide?

The InChIKey is BVBMENRCJJZUJL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-18(16-3-1-2-8-20-16)13-6-9-23(10-7-13)19(25)22-14-4-5-15-17(11-14)26-12-21-15/h1-5,8,11-13,18,24H,6-7,9-10H2,(H,22,25)/t18-/m1/s1.

What are the key properties of N-(1,3-benzothiazol-6-yl)-4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide?

N-(1,3-benzothiazol-6-yl)-4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-6-yl)-4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 97268082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).