6-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)-1,3-benzothiazole

C16H22FNS — CID 147060099

IUPAC6-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)-1,3-benzothiazole
SMILESCCC(C)(C)c1nc2c(F)cc(C(C)(C)C)cc2s1
InChIInChI=1S/C16H22FNS/c1-7-16(5,6)14-18-13-11(17)8-10(15(2,3)4)9-12(13)19-14/h8-9H,7H2,1-6H3
InChIKeyBCZUCOKSZXFDRK-UHFFFAOYSA-N
MW279.42 g/mol
LogP5.42
Rot. Bonds2

About 6-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)-1,3-benzothiazole

6-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)-1,3-benzothiazole (PubChem CID 147060099) has the molecular formula C16H22FNS and a molecular weight of 279.42 g/mol. Its IUPAC name is 6-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)-1,3-benzothiazole
PubChem CID147060099
Molecular FormulaC16H22FNS
Molecular Weight279.42 g/mol
Exact Mass279.15
IUPAC Name6-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)-1,3-benzothiazole
SMILESCCC(C)(C)c1nc2c(F)cc(C(C)(C)C)cc2s1
InChIInChI=1S/C16H22FNS/c1-7-16(5,6)14-18-13-11(17)8-10(15(2,3)4)9-12(13)19-14/h8-9H,7H2,1-6H3
InChIKeyBCZUCOKSZXFDRK-UHFFFAOYSA-N
XLogP5.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-ditert-butyl-4-fluoro-1,3-benzothiazole
CID 134411028
2,6-ditert-butyl-4-(fluoromethoxy)-1,3-benzothiazole
CID 134411058
6-chloro-2-(2-methylbutan-2-yl)-1,3-benzothiazole
CID 70828604
1,3-difluoro-2-methoxy-5-(2-methylbutan-2-yl)benzene
CID 146480194
2-tert-butyl-5-(2-methylbutan-2-yl)-1,3-benzothiazole
CID 71228887
4-bromo-2-tert-butyl-6-methoxy-1,3-benzothiazole
CID 146163543
2-(2-methylbutan-2-yl)-[1,3]thiazolo[5,4-c]pyridine
CID 142339795
2,6-ditert-butyl-4-fluoro-1,3-benzoxazole
CID 134411036
1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene
CID 123729518
2-tert-butyl-5-(2-methylbutan-2-yl)-1,3,4-thiadiazole
CID 118900466
(4-fluoro-2-methyl-1,3-benzothiazol-6-yl)phosphane
CID 167500583
5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene
CID 177477426

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)-1,3-benzothiazole?
The IUPAC name of 6-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)-1,3-benzothiazole (CID 147060099) is 6-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 6-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)-1,3-benzothiazole?
The canonical SMILES for 6-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)-1,3-benzothiazole is CCC(C)(C)c1nc2c(F)cc(C(C)(C)C)cc2s1.
What is the InChIKey of 6-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)-1,3-benzothiazole?
The InChIKey is BCZUCOKSZXFDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNS/c1-7-16(5,6)14-18-13-11(17)8-10(15(2,3)4)9-12(13)19-14/h8-9H,7H2,1-6H3.
What are the key properties of 6-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)-1,3-benzothiazole?
6-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)-1,3-benzothiazole has a molecular weight of 279.42 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 147060099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).