N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine

C16H13FN4OS — CID 87943938

IUPACN-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
SMILESCOc1ccc(F)cc1Nc1nc2c(ccc3c2ncn3C)s1
InChIInChI=1S/C16H13FN4OS/c1-21-8-18-14-11(21)4-6-13-15(14)20-16(23-13)19-10-7-9(17)3-5-12(10)22-2/h3-8H,1-2H3,(H,19,20)
InChIKeyOHVITZYFPKKWOR-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.07
Rot. Bonds3

About N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine

N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 87943938) has the molecular formula C16H13FN4OS and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID87943938
Molecular FormulaC16H13FN4OS
Molecular Weight328.37 g/mol
Exact Mass328.08
IUPAC NameN-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
SMILESCOc1ccc(F)cc1Nc1nc2c(ccc3c2ncn3C)s1
InChIInChI=1S/C16H13FN4OS/c1-21-8-18-14-11(21)4-6-13-15(14)20-16(23-13)19-10-7-9(17)3-5-12(10)22-2/h3-8H,1-2H3,(H,19,20)
InChIKeyOHVITZYFPKKWOR-UHFFFAOYSA-N
XLogP4.07
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine
CID 949169
CID 2877735
CID 2877735
N-(2-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 2877736
4-imidazo[1,2-a]pyrimidin-3-yl-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 177381116
N-(1,3-benzothiazol-2-yl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150937
N-(3-(1H-imidazol-1-yl)propyl)-4-ethoxybenzo[d]thiazol-2-amine
CID 45497525
1-methyl-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]-1-[2-(trifluoromethoxy)phenyl]urea
CID 57943163
(5-Methanesulfonyl-1-methyl-1H-benzoimidazol-2-yl)-(6-trifluoromethoxy-benzothiazol-2-yl)-amine
CID 58397608
N-[1-ethyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 58397616
N-(5-fluoro-2-propan-2-yloxyphenyl)-5-(4-pyridin-4-ylpiperazin-1-yl)-1,3-benzothiazol-2-amine
CID 71478860
N-(5-fluoro-2-methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-2-amine
CID 71478928
N-(5-fluoro-2-methoxyphenyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3-benzothiazol-2-amine
CID 71478930

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine (CID 87943938) is N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine is COc1ccc(F)cc1Nc1nc2c(ccc3c2ncn3C)s1.
What is the InChIKey of N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is OHVITZYFPKKWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4OS/c1-21-8-18-14-11(21)4-6-13-15(14)20-16(23-13)19-10-7-9(17)3-5-12(10)22-2/h3-8H,1-2H3,(H,19,20).
What are the key properties of N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 328.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 87943938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).