9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butyl]carbamate

C26H29N3O5S — CID 171887393

IUPAC9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butyl]carbamate
SMILESO=C(NCCC(O)C(O)c1csc(N2CCOCC2)n1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H29N3O5S/c30-23(24(31)22-16-35-25(28-22)29-11-13-33-14-12-29)9-10-27-26(32)34-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,16,21,23-24,30-31H,9-15H2,(H,27,32)
InChIKeyQRKJCRIQSLFUDB-UHFFFAOYSA-N
MW495.60 g/mol
LogP3.30
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butyl]carbamate

9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butyl]carbamate (PubChem CID 171887393) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butyl]carbamate
PubChem CID171887393
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC Name9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butyl]carbamate
SMILESO=C(NCCC(O)C(O)c1csc(N2CCOCC2)n1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H29N3O5S/c30-23(24(31)22-16-35-25(28-22)29-11-13-33-14-12-29)9-10-27-26(32)34-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,16,21,23-24,30-31H,9-15H2,(H,27,32)
InChIKeyQRKJCRIQSLFUDB-UHFFFAOYSA-N
XLogP3.30
TPSA104.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylpyrazol-3-yl)butyl]carbamate
CID 171887680
methyl 4-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-1-methylimidazole-2-carboxylate
CID 171887012
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylthiophen-3-yl)butyl]carbamate
CID 171886024
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(3-methylthiophen-2-yl)butyl]carbamate
CID 171886026
4-chloro-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)butane-1,2-diol
CID 171894560
9H-fluoren-9-ylmethyl N-[3-(2-formyl-1,3-thiazol-4-yl)-2,3-dihydroxypropyl]carbamate
CID 170833671
9H-fluoren-9-ylmethyl N-[4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171886389
5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]benzene-1,3-dicarboxylic acid
CID 171887482
9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate
CID 171886819
9H-fluoren-9-ylmethyl N-[4-(2-formylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886250
3-chloro-2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]benzoic acid
CID 171886895
3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-2-fluorobenzoic acid
CID 171886901

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butyl]carbamate (CID 171887393) is 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butyl]carbamate is O=C(NCCC(O)C(O)c1csc(N2CCOCC2)n1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butyl]carbamate?
The InChIKey is QRKJCRIQSLFUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c30-23(24(31)22-16-35-25(28-22)29-11-13-33-14-12-29)9-10-27-26(32)34-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,16,21,23-24,30-31H,9-15H2,(H,27,32).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butyl]carbamate?
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butyl]carbamate has a molecular weight of 495.60 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butyl]carbamate is sourced from PubChem (CID 171887393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).