N-[(1S)-5-[(2-hydroxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide

C29H27N5O3S — CID 162652809

About N-[(1S)-5-[(2-hydroxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide

N-[(1S)-5-[(2-hydroxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide (PubChem CID 162652809) has the molecular formula C29H27N5O3S and a molecular weight of 525.63 g/mol. Its IUPAC name is N-[(1S)-5-[(2-hydroxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-5-[(2-hydroxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 162652809
• Molecular Formula: C29H27N5O3S
• Molecular Weight: 525.63 g/mol
• Exact Mass: 525.18
• IUPAC Name: N-[(1S)-5-[(2-hydroxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
• SMILES: O=C(N[C@@H](CCCCNC(=O)c1ccccc1O)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1
• InChI: InChI=1S/C29H27N5O3S/c35-25-11-4-3-9-22(25)28(36)31-14-6-5-10-23(34-29(37)26-17-30-18-38-26)27-32-16-24(33-27)21-13-12-19-7-1-2-8-20(19)15-21/h1-4,7-9,11-13,15-18,23,35H,5-6,10,14H2,(H,31,36)(H,32,33)(H,34,37)/t23-/m0/s1
• InChIKey: NIXOIBDALBDEAM-QHCPKHFHSA-N
• XLogP: 5.46
• TPSA: 120.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.63
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-[(2-hydroxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[(1S)-5-[(2-hydroxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide (CID 162652809) is N-[(1S)-5-[(2-hydroxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[(1S)-5-[(2-hydroxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[(1S)-5-[(2-hydroxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide is O=C(N[C@@H](CCCCNC(=O)c1ccccc1O)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1.

What is the InChIKey of N-[(1S)-5-[(2-hydroxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?

The InChIKey is NIXOIBDALBDEAM-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H27N5O3S/c35-25-11-4-3-9-22(25)28(36)31-14-6-5-10-23(34-29(37)26-17-30-18-38-26)27-32-16-24(33-27)21-13-12-19-7-1-2-8-20(19)15-21/h1-4,7-9,11-13,15-18,23,35H,5-6,10,14H2,(H,31,36)(H,32,33)(H,34,37)/t23-/m0/s1.

What are the key properties of N-[(1S)-5-[(2-hydroxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?

N-[(1S)-5-[(2-hydroxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide has a molecular weight of 525.63 g/mol, XLogP of 5.46, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-5-[(2-hydroxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162652809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).