N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine

C15H13FN2O2S — CID 43968741

IUPACN-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine
SMILESCOc1cc(OC)c2nc(Nc3ccc(F)cc3)sc2c1
InChIInChI=1S/C15H13FN2O2S/c1-19-11-7-12(20-2)14-13(8-11)21-15(18-14)17-10-5-3-9(16)4-6-10/h3-8H,1-2H3,(H,17,18)
InChIKeyHQHFEUFJONQITN-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.20
Rot. Bonds4

About N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine

N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine (PubChem CID 43968741) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine
PubChem CID43968741
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC NameN-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine
SMILESCOc1cc(OC)c2nc(Nc3ccc(F)cc3)sc2c1
InChIInChI=1S/C15H13FN2O2S/c1-19-11-7-12(20-2)14-13(8-11)21-15(18-14)17-10-5-3-9(16)4-6-10/h3-8H,1-2H3,(H,17,18)
InChIKeyHQHFEUFJONQITN-UHFFFAOYSA-N
XLogP4.20
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968745
4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82105804
(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
CID 5228893
4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 157119634
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine
CID 43968677
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 43968726
4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 82105841
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 43968759
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 43953262
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine
CID 43968743
N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414489

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine (CID 43968741) is N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine is COc1cc(OC)c2nc(Nc3ccc(F)cc3)sc2c1.
What is the InChIKey of N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine?
The InChIKey is HQHFEUFJONQITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-19-11-7-12(20-2)14-13(8-11)21-15(18-14)17-10-5-3-9(16)4-6-10/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine?
N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine has a molecular weight of 304.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43968741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).