N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine

C15H12ClFN2OS — CID 43306582

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1nc2cc(F)ccc2s1
InChIInChI=1S/C15H12ClFN2OS/c1-8-5-11(13(20-2)7-10(8)16)18-15-19-12-6-9(17)3-4-14(12)21-15/h3-7H,1-2H3,(H,18,19)
InChIKeyDHADYVHXKPUEKT-UHFFFAOYSA-N
MW322.79 g/mol
LogP5.15
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine

N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine (PubChem CID 43306582) has the molecular formula C15H12ClFN2OS and a molecular weight of 322.79 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
PubChem CID43306582
Molecular FormulaC15H12ClFN2OS
Molecular Weight322.79 g/mol
Exact Mass322.03
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1nc2cc(F)ccc2s1
InChIInChI=1S/C15H12ClFN2OS/c1-8-5-11(13(20-2)7-10(8)16)18-15-19-12-6-9(17)3-4-14(12)21-15/h3-7H,1-2H3,(H,18,19)
InChIKeyDHADYVHXKPUEKT-UHFFFAOYSA-N
XLogP5.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.79
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938
N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 103586604
N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306998
N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306893
5-fluoro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546794
4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine
CID 83152214
N-(5-fluoro-2-methoxyphenyl)-5-piperazin-1-yl-1,3-benzothiazol-2-amine
CID 71479090
N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine
CID 106556111
N-(3-bromo-5-methoxyphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 82860896
N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 107368358
N-(5-fluoro-2-methoxyphenyl)-5-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]-1,3-benzothiazol-2-amine
CID 71479161
5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine
CID 106262047

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine (CID 43306582) is N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine is COc1cc(Cl)c(C)cc1Nc1nc2cc(F)ccc2s1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is DHADYVHXKPUEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2OS/c1-8-5-11(13(20-2)7-10(8)16)18-15-19-12-6-9(17)3-4-14(12)21-15/h3-7H,1-2H3,(H,18,19).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine?
N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 322.79 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).