2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2,6-dicarboxamide

C18H19N5O3S — CID 59406322

About 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2,6-dicarboxamide

2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2,6-dicarboxamide (PubChem CID 59406322) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2,6-dicarboxamide.

Molecular Properties

• Compound Name: 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2,6-dicarboxamide
• PubChem CID: 59406322
• Molecular Formula: C18H19N5O3S
• Molecular Weight: 385.45 g/mol
• Exact Mass: 385.12
• IUPAC Name: 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2,6-dicarboxamide
• SMILES: C[C@H](CO)NC(=O)c1cccc(C(=O)NCc2ccc3nc(N)sc3c2)n1
• InChI: InChI=1S/C18H19N5O3S/c1-10(9-24)21-17(26)14-4-2-3-13(22-14)16(25)20-8-11-5-6-12-15(7-11)27-18(19)23-12/h2-7,10,24H,8-9H2,1H3,(H2,19,23)(H,20,25)(H,21,26)/t10-/m1/s1
• InChIKey: GXZKCFCOAQETJI-SNVBAGLBSA-N
• XLogP: 1.31
• TPSA: 130.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.45
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2,6-dicarboxamide?

The IUPAC name of 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2,6-dicarboxamide (CID 59406322) is 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2,6-dicarboxamide.

What is the SMILES notation for 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2,6-dicarboxamide?

The canonical SMILES for 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2,6-dicarboxamide is C[C@H](CO)NC(=O)c1cccc(C(=O)NCc2ccc3nc(N)sc3c2)n1.

What is the InChIKey of 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2,6-dicarboxamide?

The InChIKey is GXZKCFCOAQETJI-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-10(9-24)21-17(26)14-4-2-3-13(22-14)16(25)20-8-11-5-6-12-15(7-11)27-18(19)23-12/h2-7,10,24H,8-9H2,1H3,(H2,19,23)(H,20,25)(H,21,26)/t10-/m1/s1.

What are the key properties of 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2,6-dicarboxamide?

2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2,6-dicarboxamide has a molecular weight of 385.45 g/mol, XLogP of 1.31, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 59406322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).