9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropyl]carbamate

C27H25N3O4S — CID 170834987

About 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropyl]carbamate (PubChem CID 170834987) has the molecular formula C27H25N3O4S and a molecular weight of 487.58 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropyl]carbamate
• PubChem CID: 170834987
• Molecular Formula: C27H25N3O4S
• Molecular Weight: 487.58 g/mol
• Exact Mass: 487.16
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropyl]carbamate
• SMILES: Nc1nc(-c2ccc(C(O)C(O)CNC(=O)OCC3c4ccccc4-c4ccccc43)cc2)cs1
• InChI: InChI=1S/C27H25N3O4S/c28-26-30-23(15-35-26)16-9-11-17(12-10-16)25(32)24(31)13-29-27(33)34-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,15,22,24-25,31-32H,13-14H2,(H2,28,30)(H,29,33)
• InChIKey: LVAOUTMADHMXBC-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 117.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.58
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropyl]carbamate (CID 170834987) is 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropyl]carbamate is Nc1nc(-c2ccc(C(O)C(O)CNC(=O)OCC3c4ccccc4-c4ccccc43)cc2)cs1.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropyl]carbamate?

The InChIKey is LVAOUTMADHMXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4S/c28-26-30-23(15-35-26)16-9-11-17(12-10-16)25(32)24(31)13-29-27(33)34-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,15,22,24-25,31-32H,13-14H2,(H2,28,30)(H,29,33).

What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropyl]carbamate?

9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropyl]carbamate has a molecular weight of 487.58 g/mol, XLogP of 4.33, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170834987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).