2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide

C21H20N6OS — CID 156760487

About 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide

2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide (PubChem CID 156760487) has the molecular formula C21H20N6OS and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide
• PubChem CID: 156760487
• Molecular Formula: C21H20N6OS
• Molecular Weight: 404.50 g/mol
• Exact Mass: 404.14
• IUPAC Name: 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide
• SMILES: Cc1nc(NC(=O)C(C)N)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
• InChI: InChI=1S/C21H20N6OS/c1-12(22)20(28)25-21-24-13(2)19(29-21)14-6-8-16-17(26-27-18(16)11-14)9-7-15-5-3-4-10-23-15/h3-12H,22H2,1-2H3,(H,26,27)(H,24,25,28)/b9-7+
• InChIKey: OPHMTFATWSQIHO-VQHVLOKHSA-N
• XLogP: 3.85
• TPSA: 109.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.50
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide (CID 156760487) is 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide is Cc1nc(NC(=O)C(C)N)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.

What is the InChIKey of 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide?

The InChIKey is OPHMTFATWSQIHO-VQHVLOKHSA-N. The full InChI is InChI=1S/C21H20N6OS/c1-12(22)20(28)25-21-24-13(2)19(29-21)14-6-8-16-17(26-27-18(16)11-14)9-7-15-5-3-4-10-23-15/h3-12H,22H2,1-2H3,(H,26,27)(H,24,25,28)/b9-7+.

What are the key properties of 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide?

2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 404.50 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 156760487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).