6-tert-butyl-[1,2]thiazolo[5,4-b]quinoline

C14H14N2S — CID 156783021

IUPAC6-tert-butyl-[1,2]thiazolo[5,4-b]quinoline
SMILESCC(C)(C)c1ccc2nc3sncc3cc2c1
InChIInChI=1S/C14H14N2S/c1-14(2,3)11-4-5-12-9(7-11)6-10-8-15-17-13(10)16-12/h4-8H,1-3H3
InChIKeySAYUQVIQAQKXNC-UHFFFAOYSA-N
MW242.35 g/mol
LogP4.14
Rot. Bonds

About 6-tert-butyl-[1,2]thiazolo[5,4-b]quinoline

6-tert-butyl-[1,2]thiazolo[5,4-b]quinoline (PubChem CID 156783021) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 6-tert-butyl-[1,2]thiazolo[5,4-b]quinoline.

Molecular Properties

Compound Name6-tert-butyl-[1,2]thiazolo[5,4-b]quinoline
PubChem CID156783021
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name6-tert-butyl-[1,2]thiazolo[5,4-b]quinoline
SMILESCC(C)(C)c1ccc2nc3sncc3cc2c1
InChIInChI=1S/C14H14N2S/c1-14(2,3)11-4-5-12-9(7-11)6-10-8-15-17-13(10)16-12/h4-8H,1-3H3
InChIKeySAYUQVIQAQKXNC-UHFFFAOYSA-N
XLogP4.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butylthieno[2,3-b]quinoline-2-carboxamide
CID 11854062
2,7-ditert-butylphenazine
CID 59610780
6-tert-butyl-3-chloroquinolin-2-amine
CID 155185103
2,6-ditert-butylanthracene
CID 15740416
3,6-ditert-butyl-N-methylquinolin-2-amine
CID 63382437
N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;benzene
CID 143292872
2,6-ditert-butyl-3-methylquinoxaline
CID 134411062
6-tert-butyl-N-[2-(dimethylamino)ethyl]thieno[2,3-b]quinoline-2-carboxamide;6-tert-butylthieno[2,3-b]quinoline-2-carboxylic acid
CID 158508913
2,7-ditert-butylquinoxaline
CID 134411063
5-tert-butyl-2-methylindazole
CID 68930740
6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene
CID 158521630
N-(2-aminoethyl)-6-tert-butylthieno[2,3-b]quinoline-2-carboxamide;cyclohepta-1,3,5-triene
CID 143292866

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-[1,2]thiazolo[5,4-b]quinoline?
The IUPAC name of 6-tert-butyl-[1,2]thiazolo[5,4-b]quinoline (CID 156783021) is 6-tert-butyl-[1,2]thiazolo[5,4-b]quinoline.
What is the SMILES notation for 6-tert-butyl-[1,2]thiazolo[5,4-b]quinoline?
The canonical SMILES for 6-tert-butyl-[1,2]thiazolo[5,4-b]quinoline is CC(C)(C)c1ccc2nc3sncc3cc2c1.
What is the InChIKey of 6-tert-butyl-[1,2]thiazolo[5,4-b]quinoline?
The InChIKey is SAYUQVIQAQKXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-14(2,3)11-4-5-12-9(7-11)6-10-8-15-17-13(10)16-12/h4-8H,1-3H3.
What are the key properties of 6-tert-butyl-[1,2]thiazolo[5,4-b]quinoline?
6-tert-butyl-[1,2]thiazolo[5,4-b]quinoline has a molecular weight of 242.35 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-[1,2]thiazolo[5,4-b]quinoline is sourced from PubChem (CID 156783021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).