fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)

C21H25FN2S2 — CID 167583467

IUPACfluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
SMILESCC(C)c1nc2ccccc2s1.CC(C)c1nc2ccccc2s1.CF
InChIInChI=1S/2C10H11NS.CH3F/c2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-2/h2*3-7H,1-2H3;1H3
InChIKeyHMGUMZZYOLLFFE-UHFFFAOYSA-N
MW388.58 g/mol
LogP7.43
Rot. Bonds2

About fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)

fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole) (PubChem CID 167583467) has the molecular formula C21H25FN2S2 and a molecular weight of 388.58 g/mol. Its IUPAC name is fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole).

Molecular Properties

Compound Namefluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
PubChem CID167583467
Molecular FormulaC21H25FN2S2
Molecular Weight388.58 g/mol
Exact Mass388.14
IUPAC Namefluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
SMILESCC(C)c1nc2ccccc2s1.CC(C)c1nc2ccccc2s1.CF
InChIInChI=1S/2C10H11NS.CH3F/c2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-2/h2*3-7H,1-2H3;1H3
InChIKeyHMGUMZZYOLLFFE-UHFFFAOYSA-N
XLogP7.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.58
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-5-tritio-1,3-benzothiazole
CID 155790204
(2R,3R)-3-(1,3-benzothiazol-2-yl)butan-2-ol
CID 95030552
2-[1-[2-(1,3-benzothiazol-2-yl)propyldisulfanyl]propan-2-yl]-1,3-benzothiazole
CID 139653481
(1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethanol
CID 9267878
(1S,2R)-1-(1,3-benzothiazol-2-yl)-2-methylbut-3-en-1-ol
CID 10856987
5-(1,3-benzothiazol-2-ylmethyl)-4-fluoro-2-propan-2-yl-1,3-benzothiazole
CID 170144866
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide
CID 94044935
1-(1,3-benzothiazol-2-yl)ethyl methanesulfonate
CID 18932378
1-(1,3-benzothiazol-2-yl)-3-phenylbutan-1-amine
CID 61100465
dipropan-2-yl 2-(1,3-benzothiazol-2-yl)propanedioate
CID 44721597
N-[1-(1,3-benzothiazol-2-yl)ethyl]but-3-yn-2-amine
CID 114414954
1-(1,3-benzothiazol-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720318

Frequently Asked Questions

What is the IUPAC name of fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)?
The IUPAC name of fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole) (CID 167583467) is fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole).
What is the SMILES notation for fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)?
The canonical SMILES for fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole) is CC(C)c1nc2ccccc2s1.CC(C)c1nc2ccccc2s1.CF.
What is the InChIKey of fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)?
The InChIKey is HMGUMZZYOLLFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H11NS.CH3F/c2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-2/h2*3-7H,1-2H3;1H3.
What are the key properties of fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)?
fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole) has a molecular weight of 388.58 g/mol, XLogP of 7.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole) is sourced from PubChem (CID 167583467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).