N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-3-(1-methyl-4,5-dihydroimidazole-2-carbonyl)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxamide

C27H32N6O4S2 — CID 24956452

About N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-3-(1-methyl-4,5-dihydroimidazole-2-carbonyl)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxamide

N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-3-(1-methyl-4,5-dihydroimidazole-2-carbonyl)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 24956452) has the molecular formula C27H32N6O4S2 and a molecular weight of 568.73 g/mol. Its IUPAC name is N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-3-(1-methyl-4,5-dihydroimidazole-2-carbonyl)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-3-(1-methyl-4,5-dihydroimidazole-2-carbonyl)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxamide
• PubChem CID: 24956452
• Molecular Formula: C27H32N6O4S2
• Molecular Weight: 568.73 g/mol
• Exact Mass: 568.19
• IUPAC Name: N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-3-(1-methyl-4,5-dihydroimidazole-2-carbonyl)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxamide
• SMILES: CN1CCN=C1C(=O)N1C(C(=O)Nc2nc(-c3ccc(C(=O)NC4CC4)cc3)cs2)CSC1C1CCOCC1
• InChI: InChI=1S/C27H32N6O4S2/c1-32-11-10-28-22(32)25(36)33-21(15-38-26(33)18-8-12-37-13-9-18)24(35)31-27-30-20(14-39-27)16-2-4-17(5-3-16)23(34)29-19-6-7-19/h2-5,14,18-19,21,26H,6-13,15H2,1H3,(H,29,34)(H,30,31,35)
• InChIKey: BRSHOOFWXNCQIP-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 116.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.73
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-3-(1-methyl-4,5-dihydroimidazole-2-carbonyl)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxamide?

The IUPAC name of N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-3-(1-methyl-4,5-dihydroimidazole-2-carbonyl)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxamide (CID 24956452) is N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-3-(1-methyl-4,5-dihydroimidazole-2-carbonyl)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxamide.

What is the SMILES notation for N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-3-(1-methyl-4,5-dihydroimidazole-2-carbonyl)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxamide?

The canonical SMILES for N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-3-(1-methyl-4,5-dihydroimidazole-2-carbonyl)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxamide is CN1CCN=C1C(=O)N1C(C(=O)Nc2nc(-c3ccc(C(=O)NC4CC4)cc3)cs2)CSC1C1CCOCC1.

What is the InChIKey of N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-3-(1-methyl-4,5-dihydroimidazole-2-carbonyl)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxamide?

The InChIKey is BRSHOOFWXNCQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O4S2/c1-32-11-10-28-22(32)25(36)33-21(15-38-26(33)18-8-12-37-13-9-18)24(35)31-27-30-20(14-39-27)16-2-4-17(5-3-16)23(34)29-19-6-7-19/h2-5,14,18-19,21,26H,6-13,15H2,1H3,(H,29,34)(H,30,31,35).

What are the key properties of N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-3-(1-methyl-4,5-dihydroimidazole-2-carbonyl)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxamide?

N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-3-(1-methyl-4,5-dihydroimidazole-2-carbonyl)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 568.73 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-3-(1-methyl-4,5-dihydroimidazole-2-carbonyl)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 24956452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).