9H-fluoren-9-ylmethyl N-[4-(2-amino-1,3-benzothiazol-5-yl)-3,4-dihydroxybutyl]carbamate

C26H25N3O4S — CID 171886832

IUPAC9H-fluoren-9-ylmethyl N-[4-(2-amino-1,3-benzothiazol-5-yl)-3,4-dihydroxybutyl]carbamate
SMILESNc1nc2cc(C(O)C(O)CCNC(=O)OCC3c4ccccc4-c4ccccc43)ccc2s1
InChIInChI=1S/C26H25N3O4S/c27-25-29-21-13-15(9-10-23(21)34-25)24(31)22(30)11-12-28-26(32)33-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,13,20,22,24,30-31H,11-12,14H2,(H2,27,29)(H,28,32)
InChIKeyUVZDZOGPTZGPSS-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.20
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[4-(2-amino-1,3-benzothiazol-5-yl)-3,4-dihydroxybutyl]carbamate

9H-fluoren-9-ylmethyl N-[4-(2-amino-1,3-benzothiazol-5-yl)-3,4-dihydroxybutyl]carbamate (PubChem CID 171886832) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(2-amino-1,3-benzothiazol-5-yl)-3,4-dihydroxybutyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(2-amino-1,3-benzothiazol-5-yl)-3,4-dihydroxybutyl]carbamate
PubChem CID171886832
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(2-amino-1,3-benzothiazol-5-yl)-3,4-dihydroxybutyl]carbamate
SMILESNc1nc2cc(C(O)C(O)CCNC(=O)OCC3c4ccccc4-c4ccccc43)ccc2s1
InChIInChI=1S/C26H25N3O4S/c27-25-29-21-13-15(9-10-23(21)34-25)24(31)22(30)11-12-28-26(32)33-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,13,20,22,24,30-31H,11-12,14H2,(H2,27,29)(H,28,32)
InChIKeyUVZDZOGPTZGPSS-UHFFFAOYSA-N
XLogP4.20
TPSA117.70 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

9H-fluoren-9-ylmethyl N-[4-(2H-benzotriazol-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171886818
9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate
CID 171886819
9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate
CID 171886846
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-methylphenyl)butyl]carbamate
CID 171886058
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-propan-2-ylphenyl)butyl]carbamate
CID 171886469
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(3,4,5-trichlorophenyl)butyl]carbamate
CID 171886456
9H-fluoren-9-ylmethyl N-[4-(9H-fluoren-2-yl)-3,4-dihydroxybutyl]carbamate
CID 171887623
9H-fluoren-9-ylmethyl N-[4-(3-chloro-4-cyanophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886661
5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]benzene-1,3-dicarboxylic acid
CID 171887482
benzyl N-[4-(2-amino-1,3-benzothiazol-6-yl)-3,4-dihydroxybutyl]carbamate
CID 171888625
9H-fluoren-9-ylmethyl N-[4-(3-formylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886253
methyl 4-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]-2-hydroxybenzoate
CID 171887245

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(2-amino-1,3-benzothiazol-5-yl)-3,4-dihydroxybutyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(2-amino-1,3-benzothiazol-5-yl)-3,4-dihydroxybutyl]carbamate (CID 171886832) is 9H-fluoren-9-ylmethyl N-[4-(2-amino-1,3-benzothiazol-5-yl)-3,4-dihydroxybutyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(2-amino-1,3-benzothiazol-5-yl)-3,4-dihydroxybutyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(2-amino-1,3-benzothiazol-5-yl)-3,4-dihydroxybutyl]carbamate is Nc1nc2cc(C(O)C(O)CCNC(=O)OCC3c4ccccc4-c4ccccc43)ccc2s1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(2-amino-1,3-benzothiazol-5-yl)-3,4-dihydroxybutyl]carbamate?
The InChIKey is UVZDZOGPTZGPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c27-25-29-21-13-15(9-10-23(21)34-25)24(31)22(30)11-12-28-26(32)33-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,13,20,22,24,30-31H,11-12,14H2,(H2,27,29)(H,28,32).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(2-amino-1,3-benzothiazol-5-yl)-3,4-dihydroxybutyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(2-amino-1,3-benzothiazol-5-yl)-3,4-dihydroxybutyl]carbamate has a molecular weight of 475.57 g/mol, XLogP of 4.20, 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-[4-(2-amino-1,3-benzothiazol-5-yl)-3,4-dihydroxybutyl]carbamate is sourced from PubChem (CID 171886832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).