N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine

C14H10ClFN2OS — CID 107368348

IUPACN-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3cc(F)cc(Cl)c3)sc2c1
InChIInChI=1S/C14H10ClFN2OS/c1-19-11-2-3-12-13(7-11)20-14(18-12)17-10-5-8(15)4-9(16)6-10/h2-7H,1H3,(H,17,18)
InChIKeyWECRFWPDJDDSMH-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.84
Rot. Bonds3

About N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine

N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 107368348) has the molecular formula C14H10ClFN2OS and a molecular weight of 308.77 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID107368348
Molecular FormulaC14H10ClFN2OS
Molecular Weight308.77 g/mol
Exact Mass308.02
IUPAC NameN-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3cc(F)cc(Cl)c3)sc2c1
InChIInChI=1S/C14H10ClFN2OS/c1-19-11-2-3-12-13(7-11)20-14(18-12)17-10-5-8(15)4-9(16)6-10/h2-7H,1H3,(H,17,18)
InChIKeyWECRFWPDJDDSMH-UHFFFAOYSA-N
XLogP4.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107575961
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 107368358
N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414489
N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 107368344
N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908750
6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 53414965
N-(4-chloro-2-iodophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107637483
N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79765855
N-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine
CID 43969068
6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79143900
N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107601400

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine (CID 107368348) is N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(Nc3cc(F)cc(Cl)c3)sc2c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is WECRFWPDJDDSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2OS/c1-19-11-2-3-12-13(7-11)20-14(18-12)17-10-5-8(15)4-9(16)6-10/h2-7H,1H3,(H,17,18).
What are the key properties of N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine?
N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 308.77 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 107368348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).