cis-(1R,4S)-2-[(2S)-2-(ethylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide

C25H35N3O3S — CID 167264244

About cis-(1R,4S)-2-[(2S)-2-(ethylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide

cis-(1R,4S)-2-[(2S)-2-(ethylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 167264244) has the molecular formula C25H35N3O3S and a molecular weight of 457.64 g/mol. Its IUPAC name is cis-(1R,4S)-2-[(2S)-2-(ethylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,4S)-2-[(2S)-2-(ethylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
• PubChem CID: 167264244
• Molecular Formula: C25H35N3O3S
• Molecular Weight: 457.64 g/mol
• Exact Mass: 457.24
• IUPAC Name: cis-(1R,4S)-2-[(2S)-2-(ethylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
• SMILES: CCN[C@H](C(=O)C1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C
• InChI: InChI=1S/C25H35N3O3S/c1-6-26-23(25(3,4)5)21(30)19-11-18(29)12-20(19)24(31)27-13-16-7-9-17(10-8-16)22-15(2)28-14-32-22/h7-10,14,18-20,23,26,29H,6,11-13H2,1-5H3,(H,27,31)/t18-,19?,20+,23+/m0/s1
• InChIKey: QOOHHLGHYVNLHE-WNMUNSQNSA-N
• XLogP: 3.72
• TPSA: 91.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.64
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cis-(1R,4S)-2-[(2S)-2-(ethylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide?

The IUPAC name of cis-(1R,4S)-2-[(2S)-2-(ethylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide (CID 167264244) is cis-(1R,4S)-2-[(2S)-2-(ethylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide.

What is the SMILES notation for cis-(1R,4S)-2-[(2S)-2-(ethylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide?

The canonical SMILES for cis-(1R,4S)-2-[(2S)-2-(ethylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide is CCN[C@H](C(=O)C1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C.

What is the InChIKey of cis-(1R,4S)-2-[(2S)-2-(ethylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide?

The InChIKey is QOOHHLGHYVNLHE-WNMUNSQNSA-N. The full InChI is InChI=1S/C25H35N3O3S/c1-6-26-23(25(3,4)5)21(30)19-11-18(29)12-20(19)24(31)27-13-16-7-9-17(10-8-16)22-15(2)28-14-32-22/h7-10,14,18-20,23,26,29H,6,11-13H2,1-5H3,(H,27,31)/t18-,19?,20+,23+/m0/s1.

What are the key properties of cis-(1R,4S)-2-[(2S)-2-(ethylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide?

cis-(1R,4S)-2-[(2S)-2-(ethylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 457.64 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,4S)-2-[(2S)-2-(ethylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 167264244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).