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

C19H21N5O3S — CID 59406409

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

2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2,6-dicarboxamide (PubChem CID 59406409) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2,6-dicarboxamide.

Molecular Properties

• Compound Name: 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2,6-dicarboxamide
• PubChem CID: 59406409
• Molecular Formula: C19H21N5O3S
• Molecular Weight: 399.48 g/mol
• Exact Mass: 399.14
• IUPAC Name: 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2,6-dicarboxamide
• SMILES: CC[C@@H](CO)NC(=O)c1cccc(C(=O)NCc2ccc3nc(N)sc3c2)n1
• InChI: InChI=1S/C19H21N5O3S/c1-2-12(10-25)22-18(27)15-5-3-4-14(23-15)17(26)21-9-11-6-7-13-16(8-11)28-19(20)24-13/h3-8,12,25H,2,9-10H2,1H3,(H2,20,24)(H,21,26)(H,22,27)/t12-/m0/s1
• InChIKey: HRGQXQVECOSPDB-LBPRGKRZSA-N
• XLogP: 1.70
• TPSA: 130.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.48
LogP ≤ 5	1.70
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-[(2S)-1-hydroxybutan-2-yl]pyridine-2,6-dicarboxamide?

The IUPAC name of 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2,6-dicarboxamide (CID 59406409) is 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2,6-dicarboxamide.

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

The canonical SMILES for 2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2,6-dicarboxamide is CC[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-[(2S)-1-hydroxybutan-2-yl]pyridine-2,6-dicarboxamide?

The InChIKey is HRGQXQVECOSPDB-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-2-12(10-25)22-18(27)15-5-3-4-14(23-15)17(26)21-9-11-6-7-13-16(8-11)28-19(20)24-13/h3-8,12,25H,2,9-10H2,1H3,(H2,20,24)(H,21,26)(H,22,27)/t12-/m0/s1.

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

2-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2,6-dicarboxamide has a molecular weight of 399.48 g/mol, XLogP of 1.70, 7 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-[(2S)-1-hydroxybutan-2-yl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 59406409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).