N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine

C14H10ClFN2S — CID 107368344

IUPACN-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(Nc3cc(F)cc(Cl)c3)nc2c1
InChIInChI=1S/C14H10ClFN2S/c1-8-2-3-13-12(4-8)18-14(19-13)17-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H,17,18)
InChIKeyVUBSWSJUUDKKKY-UHFFFAOYSA-N
MW292.77 g/mol
LogP5.14
Rot. Bonds2

About N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine

N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine (PubChem CID 107368344) has the molecular formula C14H10ClFN2S and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
PubChem CID107368344
Molecular FormulaC14H10ClFN2S
Molecular Weight292.77 g/mol
Exact Mass292.02
IUPAC NameN-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(Nc3cc(F)cc(Cl)c3)nc2c1
InChIInChI=1S/C14H10ClFN2S/c1-8-2-3-13-12(4-8)18-14(19-13)17-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H,17,18)
InChIKeyVUBSWSJUUDKKKY-UHFFFAOYSA-N
XLogP5.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.77
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 107368358
N-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 83079004
N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107368348
5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine
CID 43306651
6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79143900
N-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 43307042
N-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 43213686
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338
N-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine
CID 43969068
N-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 43247454
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43307023

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine (CID 107368344) is N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine is Cc1ccc2sc(Nc3cc(F)cc(Cl)c3)nc2c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine?
The InChIKey is VUBSWSJUUDKKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2S/c1-8-2-3-13-12(4-8)18-14(19-13)17-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H,17,18).
What are the key properties of N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine?
N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine has a molecular weight of 292.77 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 107368344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).