N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C18H22N8OS — CID 56967832

About N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 56967832) has the molecular formula C18H22N8OS and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 56967832
• Molecular Formula: C18H22N8OS
• Molecular Weight: 398.50 g/mol
• Exact Mass: 398.16
• IUPAC Name: N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
• SMILES: NCC1CCN(c2ncc(N)cc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1
• InChI: InChI=1S/C18H22N8OS/c19-6-11-1-3-26(4-2-11)16-14(5-13(20)9-21-16)24-17(27)15-10-28-18(25-15)12-7-22-23-8-12/h5,7-11H,1-4,6,19-20H2,(H,22,23)(H,24,27)
• InChIKey: MSWPKPFPMAYEDD-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 138.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.50
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 56967832) is N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is NCC1CCN(c2ncc(N)cc2NC(=O)c2csc(-c3cn[nH]c3)n2)CC1.

What is the InChIKey of N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is MSWPKPFPMAYEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8OS/c19-6-11-1-3-26(4-2-11)16-14(5-13(20)9-21-16)24-17(27)15-10-28-18(25-15)12-7-22-23-8-12/h5,7-11H,1-4,6,19-20H2,(H,22,23)(H,24,27).

What are the key properties of N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?

N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 398.50 g/mol, XLogP of 1.94, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56967832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).