2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C15H16ClFN2S — CID 62944736

IUPAC2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCC1(C)Cc2nc(-c3ccc(F)cc3Cl)sc2C(N)C1
InChIInChI=1S/C15H16ClFN2S/c1-15(2)6-11(18)13-12(7-15)19-14(20-13)9-4-3-8(17)5-10(9)16/h3-5,11H,6-7,18H2,1-2H3
InChIKeyFNRQDGOUDKHXFB-UHFFFAOYSA-N
MW310.83 g/mol
LogP4.57
Rot. Bonds1

About 2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 62944736) has the molecular formula C15H16ClFN2S and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID62944736
Molecular FormulaC15H16ClFN2S
Molecular Weight310.83 g/mol
Exact Mass310.07
IUPAC Name2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCC1(C)Cc2nc(-c3ccc(F)cc3Cl)sc2C(N)C1
InChIInChI=1S/C15H16ClFN2S/c1-15(2)6-11(18)13-12(7-15)19-14(20-13)9-4-3-8(17)5-10(9)16/h3-5,11H,6-7,18H2,1-2H3
InChIKeyFNRQDGOUDKHXFB-UHFFFAOYSA-N
XLogP4.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine with MolForge

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Related Compounds

2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62795813
2-(5-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62493383
2-(2-fluoro-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 107111642
2-(2-methoxy-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 106792900
5,5-dimethyl-2-phenyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62091138
2-(2-chloro-4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 62945881
2-(3,5-dimethylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62091322
2-(4-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 63081619
2-(5-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62494069
2-(3-bromo-4-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 105410182
2-[(2,4-dichlorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62091311
2-(4-methoxy-3-methylphenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62132444

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 62944736) is 2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CC1(C)Cc2nc(-c3ccc(F)cc3Cl)sc2C(N)C1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is FNRQDGOUDKHXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2S/c1-15(2)6-11(18)13-12(7-15)19-14(20-13)9-4-3-8(17)5-10(9)16/h3-5,11H,6-7,18H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 310.83 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62944736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).