2-amino-N-(cyclopropylmethyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide

C26H28N4OS — CID 87384174

About 2-amino-N-(cyclopropylmethyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide

2-amino-N-(cyclopropylmethyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 87384174) has the molecular formula C26H28N4OS and a molecular weight of 444.60 g/mol. Its IUPAC name is 2-amino-N-(cyclopropylmethyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-(cyclopropylmethyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 87384174
• Molecular Formula: C26H28N4OS
• Molecular Weight: 444.60 g/mol
• Exact Mass: 444.20
• IUPAC Name: 2-amino-N-(cyclopropylmethyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
• SMILES: Cc1cccc(-c2sc(N)nc2C(=O)N(CCc2c[nH]c3ccc(C)cc23)CC2CC2)c1
• InChI: InChI=1S/C26H28N4OS/c1-16-4-3-5-19(12-16)24-23(29-26(27)32-24)25(31)30(15-18-7-8-18)11-10-20-14-28-22-9-6-17(2)13-21(20)22/h3-6,9,12-14,18,28H,7-8,10-11,15H2,1-2H3,(H2,27,29)
• InChIKey: UVLYJGJCZGDQPP-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 75.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.60
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclopropylmethyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-amino-N-(cyclopropylmethyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide (CID 87384174) is 2-amino-N-(cyclopropylmethyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-amino-N-(cyclopropylmethyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-amino-N-(cyclopropylmethyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1cccc(-c2sc(N)nc2C(=O)N(CCc2c[nH]c3ccc(C)cc23)CC2CC2)c1.

What is the InChIKey of 2-amino-N-(cyclopropylmethyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide?

The InChIKey is UVLYJGJCZGDQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4OS/c1-16-4-3-5-19(12-16)24-23(29-26(27)32-24)25(31)30(15-18-7-8-18)11-10-20-14-28-22-9-6-17(2)13-21(20)22/h3-6,9,12-14,18,28H,7-8,10-11,15H2,1-2H3,(H2,27,29).

What are the key properties of 2-amino-N-(cyclopropylmethyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide?

2-amino-N-(cyclopropylmethyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 444.60 g/mol, XLogP of 5.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(cyclopropylmethyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 87384174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).