5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide

C19H21N7OS — CID 58182177

About 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide

5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 58182177) has the molecular formula C19H21N7OS and a molecular weight of 395.49 g/mol. Its IUPAC name is 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
• PubChem CID: 58182177
• Molecular Formula: C19H21N7OS
• Molecular Weight: 395.49 g/mol
• Exact Mass: 395.15
• IUPAC Name: 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
• SMILES: Nc1sc(-c2ccccn2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1
• InChI: InChI=1S/C19H21N7OS/c20-12-4-3-9-26(11-12)15-6-8-22-10-14(15)24-18(27)16-17(21)28-19(25-16)13-5-1-2-7-23-13/h1-2,5-8,10,12H,3-4,9,11,20-21H2,(H,24,27)/t12-/m0/s1
• InChIKey: WBZMZZNXLNIOQD-LBPRGKRZSA-N
• XLogP: 2.36
• TPSA: 123.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.49
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?

The IUPAC name of 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (CID 58182177) is 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?

The canonical SMILES for 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is Nc1sc(-c2ccccn2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1.

What is the InChIKey of 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?

The InChIKey is WBZMZZNXLNIOQD-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21N7OS/c20-12-4-3-9-26(11-12)15-6-8-22-10-14(15)24-18(27)16-17(21)28-19(25-16)13-5-1-2-7-23-13/h1-2,5-8,10,12H,3-4,9,11,20-21H2,(H,24,27)/t12-/m0/s1.

What are the key properties of 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?

5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58182177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).