2-tert-butyl-4-ethoxy-6-propan-2-yl-1,3-benzothiazole

C16H23NOS — CID 149454922

IUPAC2-tert-butyl-4-ethoxy-6-propan-2-yl-1,3-benzothiazole
SMILESCCOc1cc(C(C)C)cc2sc(C(C)(C)C)nc12
InChIInChI=1S/C16H23NOS/c1-7-18-12-8-11(10(2)3)9-13-14(12)17-15(19-13)16(4,5)6/h8-10H,7H2,1-6H3
InChIKeyYYJBBZNPUFMDQZ-UHFFFAOYSA-N
MW277.43 g/mol
LogP5.12
Rot. Bonds3

About 2-tert-butyl-4-ethoxy-6-propan-2-yl-1,3-benzothiazole

2-tert-butyl-4-ethoxy-6-propan-2-yl-1,3-benzothiazole (PubChem CID 149454922) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-tert-butyl-4-ethoxy-6-propan-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name2-tert-butyl-4-ethoxy-6-propan-2-yl-1,3-benzothiazole
PubChem CID149454922
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name2-tert-butyl-4-ethoxy-6-propan-2-yl-1,3-benzothiazole
SMILESCCOc1cc(C(C)C)cc2sc(C(C)(C)C)nc12
InChIInChI=1S/C16H23NOS/c1-7-18-12-8-11(10(2)3)9-13-14(12)17-15(19-13)16(4,5)6/h8-10H,7H2,1-6H3
InChIKeyYYJBBZNPUFMDQZ-UHFFFAOYSA-N
XLogP5.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.43
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-6-propan-2-yl-4-(trifluoromethyl)-1,3-benzothiazole
CID 134415209
2,6-ditert-butyl-4-(fluoromethoxy)-1,3-benzothiazole
CID 134411058
1-tert-butyl-3-ethoxy-5-propan-2-ylbenzene
CID 155760642
2-chloro-8-ethoxy-3-propan-2-ylquinoline
CID 63531227
4-bromo-2-tert-butyl-6-methoxy-1,3-benzothiazole
CID 146163543
2,6-ditert-butyl-4-fluoro-1,3-benzothiazole
CID 134411028
6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549346
N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine
CID 82549644
1-(2-tert-butyl-1,3-benzothiazol-6-yl)ethanol
CID 84698997
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
2-(2-tert-butyl-1,3-benzothiazol-4-yl)propanoic acid
CID 117413383
3-(6-bromo-4-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107152

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-ethoxy-6-propan-2-yl-1,3-benzothiazole?
The IUPAC name of 2-tert-butyl-4-ethoxy-6-propan-2-yl-1,3-benzothiazole (CID 149454922) is 2-tert-butyl-4-ethoxy-6-propan-2-yl-1,3-benzothiazole.
What is the SMILES notation for 2-tert-butyl-4-ethoxy-6-propan-2-yl-1,3-benzothiazole?
The canonical SMILES for 2-tert-butyl-4-ethoxy-6-propan-2-yl-1,3-benzothiazole is CCOc1cc(C(C)C)cc2sc(C(C)(C)C)nc12.
What is the InChIKey of 2-tert-butyl-4-ethoxy-6-propan-2-yl-1,3-benzothiazole?
The InChIKey is YYJBBZNPUFMDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-7-18-12-8-11(10(2)3)9-13-14(12)17-15(19-13)16(4,5)6/h8-10H,7H2,1-6H3.
What are the key properties of 2-tert-butyl-4-ethoxy-6-propan-2-yl-1,3-benzothiazole?
2-tert-butyl-4-ethoxy-6-propan-2-yl-1,3-benzothiazole has a molecular weight of 277.43 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-ethoxy-6-propan-2-yl-1,3-benzothiazole is sourced from PubChem (CID 149454922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).