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

C16H12F2N4OS — CID 87944155

IUPACN-(3,5-difluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
SMILESCOc1c(F)cc(F)cc1Nc1nc2c(ccc3c2ncn3C)s1
InChIInChI=1S/C16H12F2N4OS/c1-22-7-19-13-11(22)3-4-12-14(13)21-16(24-12)20-10-6-8(17)5-9(18)15(10)23-2/h3-7H,1-2H3,(H,20,21)
InChIKeyDHQFVYHHWSHEOZ-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.21
Rot. Bonds3

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

N-(3,5-difluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 87944155) has the molecular formula C16H12F2N4OS and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(3,5-difluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-difluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID87944155
Molecular FormulaC16H12F2N4OS
Molecular Weight346.36 g/mol
Exact Mass346.07
IUPAC NameN-(3,5-difluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
SMILESCOc1c(F)cc(F)cc1Nc1nc2c(ccc3c2ncn3C)s1
InChIInChI=1S/C16H12F2N4OS/c1-22-7-19-13-11(22)3-4-12-14(13)21-16(24-12)20-10-6-8(17)5-9(18)15(10)23-2/h3-7H,1-2H3,(H,20,21)
InChIKeyDHQFVYHHWSHEOZ-UHFFFAOYSA-N
XLogP4.21
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of N-(3,5-difluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine (CID 87944155) is N-(3,5-difluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-(3,5-difluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for N-(3,5-difluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine is COc1c(F)cc(F)cc1Nc1nc2c(ccc3c2ncn3C)s1.
What is the InChIKey of N-(3,5-difluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is DHQFVYHHWSHEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4OS/c1-22-7-19-13-11(22)3-4-12-14(13)21-16(24-12)20-10-6-8(17)5-9(18)15(10)23-2/h3-7H,1-2H3,(H,20,21).
What are the key properties of N-(3,5-difluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
N-(3,5-difluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 346.36 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 87944155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).