2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

C16H14FN3OS2 — CID 7110038

IUPAC2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCC1(C)CC(=O)c2sc(Nc3nc4ccc(F)cc4s3)nc2C1
InChIInChI=1S/C16H14FN3OS2/c1-16(2)6-10-13(11(21)7-16)23-15(19-10)20-14-18-9-4-3-8(17)5-12(9)22-14/h3-5H,6-7H2,1-2H3,(H,18,19,20)
InChIKeyVILRIMUBNZPENU-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.79
Rot. Bonds2

About 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (PubChem CID 7110038) has the molecular formula C16H14FN3OS2 and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
PubChem CID7110038
Molecular FormulaC16H14FN3OS2
Molecular Weight347.44 g/mol
Exact Mass347.06
IUPAC Name2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCC1(C)CC(=O)c2sc(Nc3nc4ccc(F)cc4s3)nc2C1
InChIInChI=1S/C16H14FN3OS2/c1-16(2)6-10-13(11(21)7-16)23-15(19-10)20-14-18-9-4-3-8(17)5-12(9)22-14/h3-5H,6-7H2,1-2H3,(H,18,19,20)
InChIKeyVILRIMUBNZPENU-UHFFFAOYSA-N
XLogP4.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one with MolForge

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Related Compounds

N-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79871977
2-(3-fluoro-N-methylanilino)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62749785
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192248
N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143552
6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79143900
6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine
CID 113491209
2-[(2-fluorophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62090246
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide
CID 18587211
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7109952
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2,3-dimethylcyclohept-2-ene-1,4-dione
CID 143772250
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide
CID 146022316

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The IUPAC name of 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (CID 7110038) is 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The canonical SMILES for 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is CC1(C)CC(=O)c2sc(Nc3nc4ccc(F)cc4s3)nc2C1.
What is the InChIKey of 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The InChIKey is VILRIMUBNZPENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS2/c1-16(2)6-10-13(11(21)7-16)23-15(19-10)20-14-18-9-4-3-8(17)5-12(9)22-14/h3-5H,6-7H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one has a molecular weight of 347.44 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is sourced from PubChem (CID 7110038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).