cis-(1S,3R)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid

C25H23N3O5S — CID 178192441

About cis-(1S,3R)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 178192441) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1S,3R)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
• PubChem CID: 178192441
• Molecular Formula: C25H23N3O5S
• Molecular Weight: 477.54 g/mol
• Exact Mass: 477.14
• IUPAC Name: cis-(1S,3R)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
• SMILES: O=C(Nc1ncc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)s1)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C25H23N3O5S/c29-22(27-15-10-9-14(11-15)23(30)31)21-12-26-24(34-21)28-25(32)33-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,12,14-15,20H,9-11,13H2,(H,27,29)(H,30,31)(H,26,28,32)/t14-,15+/m0/s1
• InChIKey: HSVADPXSXVMEIS-LSDHHAIUSA-N
• XLogP: 4.49
• TPSA: 117.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.54
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid?

The IUPAC name of cis-(1S,3R)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 178192441) is cis-(1S,3R)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for cis-(1S,3R)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid?

The canonical SMILES for cis-(1S,3R)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid is O=C(Nc1ncc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)s1)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of cis-(1S,3R)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid?

The InChIKey is HSVADPXSXVMEIS-LSDHHAIUSA-N. The full InChI is InChI=1S/C25H23N3O5S/c29-22(27-15-10-9-14(11-15)23(30)31)21-12-26-24(34-21)28-25(32)33-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,12,14-15,20H,9-11,13H2,(H,27,29)(H,30,31)(H,26,28,32)/t14-,15+/m0/s1.

What are the key properties of cis-(1S,3R)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid?

cis-(1S,3R)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 477.54 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,3R)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 178192441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).