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

C22H20N2O5S — CID 170833671

IUPAC9H-fluoren-9-ylmethyl N-[3-(2-formyl-1,3-thiazol-4-yl)-2,3-dihydroxypropyl]carbamate
SMILESO=Cc1nc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cs1
InChIInChI=1S/C22H20N2O5S/c25-10-20-24-18(12-30-20)21(27)19(26)9-23-22(28)29-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,10,12,17,19,21,26-27H,9,11H2,(H,23,28)
InChIKeySTGBFJYAVBGCKE-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.89
Rot. Bonds7

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

9H-fluoren-9-ylmethyl N-[3-(2-formyl-1,3-thiazol-4-yl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170833671) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2-formyl-1,3-thiazol-4-yl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2-formyl-1,3-thiazol-4-yl)-2,3-dihydroxypropyl]carbamate
PubChem CID170833671
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2-formyl-1,3-thiazol-4-yl)-2,3-dihydroxypropyl]carbamate
SMILESO=Cc1nc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cs1
InChIInChI=1S/C22H20N2O5S/c25-10-20-24-18(12-30-20)21(27)19(26)9-23-22(28)29-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,10,12,17,19,21,26-27H,9,11H2,(H,23,28)
InChIKeySTGBFJYAVBGCKE-UHFFFAOYSA-N
XLogP2.89
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 170834987
9H-fluoren-9-ylmethyl N-[3-(4-chloro-2-formylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834057
9H-fluoren-9-ylmethyl N-[3-(2,6-dichlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833738
5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]thiophene-3-carboxylic acid
CID 170833760
9H-fluoren-9-ylmethyl N-(2,3-dihydroxy-3-naphthalen-1-ylpropyl)carbamate
CID 170834360
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methylphenyl)propyl]carbamate
CID 170833599
5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-1,3-thiazole-4-carboxylic acid
CID 170833930
9H-fluoren-9-ylmethyl N-[3-(2,6-dimethyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170833908
9H-fluoren-9-ylmethyl N-[3-(2,6-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833730
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-iodophenyl)propyl]carbamate
CID 170835442
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]carbamate
CID 170833562
9H-fluoren-9-ylmethyl N-[3-(2-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833835

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-formyl-1,3-thiazol-4-yl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-formyl-1,3-thiazol-4-yl)-2,3-dihydroxypropyl]carbamate (CID 170833671) is 9H-fluoren-9-ylmethyl N-[3-(2-formyl-1,3-thiazol-4-yl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2-formyl-1,3-thiazol-4-yl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2-formyl-1,3-thiazol-4-yl)-2,3-dihydroxypropyl]carbamate is O=Cc1nc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cs1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2-formyl-1,3-thiazol-4-yl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is STGBFJYAVBGCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c25-10-20-24-18(12-30-20)21(27)19(26)9-23-22(28)29-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,10,12,17,19,21,26-27H,9,11H2,(H,23,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2-formyl-1,3-thiazol-4-yl)-2,3-dihydroxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2-formyl-1,3-thiazol-4-yl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 424.48 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(2-formyl-1,3-thiazol-4-yl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170833671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).