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

C20H22N6OS — CID 51002498

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

5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 51002498) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
• PubChem CID: 51002498
• Molecular Formula: C20H22N6OS
• Molecular Weight: 394.50 g/mol
• Exact Mass: 394.16
• IUPAC Name: 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
• SMILES: Nc1sc(-c2ccccc2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1
• InChI: InChI=1S/C20H22N6OS/c21-14-7-4-10-26(12-14)16-8-9-23-11-15(16)24-19(27)17-18(22)28-20(25-17)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10,12,21-22H2,(H,24,27)/t14-/m0/s1
• InChIKey: HNPMHROEVHMGSI-AWEZNQCLSA-N
• XLogP: 2.97
• TPSA: 110.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.50
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 51002498) is 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide is Nc1sc(-c2ccccc2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1.

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

The InChIKey is HNPMHROEVHMGSI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N6OS/c21-14-7-4-10-26(12-14)16-8-9-23-11-15(16)24-19(27)17-18(22)28-20(25-17)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10,12,21-22H2,(H,24,27)/t14-/m0/s1.

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

5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51002498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).