2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate

C10H10FN3O2S — CID 83204723

IUPAC2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate
SMILESNC(=O)OCCNc1nc2ccc(F)cc2s1
InChIInChI=1S/C10H10FN3O2S/c11-6-1-2-7-8(5-6)17-10(14-7)13-3-4-16-9(12)15/h1-2,5H,3-4H2,(H2,12,15)(H,13,14)
InChIKeyCGDKUBXCQFMPPU-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.94
Rot. Bonds4

About 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate

2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate (PubChem CID 83204723) has the molecular formula C10H10FN3O2S and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate
PubChem CID83204723
Molecular FormulaC10H10FN3O2S
Molecular Weight255.27 g/mol
Exact Mass255.05
IUPAC Name2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate
SMILESNC(=O)OCCNc1nc2ccc(F)cc2s1
InChIInChI=1S/C10H10FN3O2S/c11-6-1-2-7-8(5-6)17-10(14-7)13-3-4-16-9(12)15/h1-2,5H,3-4H2,(H2,12,15)(H,13,14)
InChIKeyCGDKUBXCQFMPPU-UHFFFAOYSA-N
XLogP1.94
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethylurea
CID 83115427
6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine
CID 79144140
4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82193008
N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191684
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
CID 79144613
6-fluoro-N-(3-methylsulfinylpropyl)-1,3-benzothiazol-2-amine
CID 113487886
6-fluoro-N-(3-methylsulfonylpropyl)-1,3-benzothiazol-2-amine
CID 79143888
N-(6-fluoro-1,3-benzothiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 79144623
N',N'-diethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 79143470
6-fluoro-N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 107817006
N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79144535
N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 113479111

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate (CID 83204723) is 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate is NC(=O)OCCNc1nc2ccc(F)cc2s1.
What is the InChIKey of 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate?
The InChIKey is CGDKUBXCQFMPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2S/c11-6-1-2-7-8(5-6)17-10(14-7)13-3-4-16-9(12)15/h1-2,5H,3-4H2,(H2,12,15)(H,13,14).
What are the key properties of 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate?
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate has a molecular weight of 255.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate is sourced from PubChem (CID 83204723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).