fluoro 2-(cyclopropylamino)-5-fluoro-1,3-benzothiazole-6-carboxylate

C11H8F2N2O2S — CID 142483469

IUPACfluoro 2-(cyclopropylamino)-5-fluoro-1,3-benzothiazole-6-carboxylate
SMILESO=C(OF)c1cc2sc(NC3CC3)nc2cc1F
InChIInChI=1S/C11H8F2N2O2S/c12-7-4-8-9(3-6(7)10(16)17-13)18-11(15-8)14-5-1-2-5/h3-5H,1-2H2,(H,14,15)
InChIKeySCSJAQHVNQWXCM-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.05
Rot. Bonds3

About fluoro 2-(cyclopropylamino)-5-fluoro-1,3-benzothiazole-6-carboxylate

fluoro 2-(cyclopropylamino)-5-fluoro-1,3-benzothiazole-6-carboxylate (PubChem CID 142483469) has the molecular formula C11H8F2N2O2S and a molecular weight of 270.26 g/mol. Its IUPAC name is fluoro 2-(cyclopropylamino)-5-fluoro-1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Namefluoro 2-(cyclopropylamino)-5-fluoro-1,3-benzothiazole-6-carboxylate
PubChem CID142483469
Molecular FormulaC11H8F2N2O2S
Molecular Weight270.26 g/mol
Exact Mass270.03
IUPAC Namefluoro 2-(cyclopropylamino)-5-fluoro-1,3-benzothiazole-6-carboxylate
SMILESO=C(OF)c1cc2sc(NC3CC3)nc2cc1F
InChIInChI=1S/C11H8F2N2O2S/c12-7-4-8-9(3-6(7)10(16)17-13)18-11(15-8)14-5-1-2-5/h3-5H,1-2H2,(H,14,15)
InChIKeySCSJAQHVNQWXCM-UHFFFAOYSA-N
XLogP3.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopentylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid
CID 82548345
2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid
CID 82548346
[(3R)-3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-(2-methoxy-5-methylphenyl)methanone
CID 143823679
6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
CID 45496579
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide
CID 144829885
2-methylpropyl 2-(cyclohexylamino)-1,3-benzothiazole-6-carboxylate
CID 82549738
N-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 42601981
5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine
CID 82549300
(2-fluorophenyl)-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]piperidin-1-yl]methanone
CID 133316892
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2,3,4,5-tetrafluorobenzamide
CID 99285585
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447

Frequently Asked Questions

What is the IUPAC name of fluoro 2-(cyclopropylamino)-5-fluoro-1,3-benzothiazole-6-carboxylate?
The IUPAC name of fluoro 2-(cyclopropylamino)-5-fluoro-1,3-benzothiazole-6-carboxylate (CID 142483469) is fluoro 2-(cyclopropylamino)-5-fluoro-1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for fluoro 2-(cyclopropylamino)-5-fluoro-1,3-benzothiazole-6-carboxylate?
The canonical SMILES for fluoro 2-(cyclopropylamino)-5-fluoro-1,3-benzothiazole-6-carboxylate is O=C(OF)c1cc2sc(NC3CC3)nc2cc1F.
What is the InChIKey of fluoro 2-(cyclopropylamino)-5-fluoro-1,3-benzothiazole-6-carboxylate?
The InChIKey is SCSJAQHVNQWXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2S/c12-7-4-8-9(3-6(7)10(16)17-13)18-11(15-8)14-5-1-2-5/h3-5H,1-2H2,(H,14,15).
What are the key properties of fluoro 2-(cyclopropylamino)-5-fluoro-1,3-benzothiazole-6-carboxylate?
fluoro 2-(cyclopropylamino)-5-fluoro-1,3-benzothiazole-6-carboxylate has a molecular weight of 270.26 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(cyclopropylamino)-5-fluoro-1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 142483469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).