4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine

C15H15N3S — CID 82447778

IUPAC4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine
SMILESCC(C)c1cc(-c2csc(N)n2)c2ccccc2n1
InChIInChI=1S/C15H15N3S/c1-9(2)13-7-11(14-8-19-15(16)18-14)10-5-3-4-6-12(10)17-13/h3-9H,1-2H3,(H2,16,18)
InChIKeyJSWOGDVSBNNAGR-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.06
Rot. Bonds2

About 4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine

4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine (PubChem CID 82447778) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine
PubChem CID82447778
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine
SMILESCC(C)c1cc(-c2csc(N)n2)c2ccccc2n1
InChIInChI=1S/C15H15N3S/c1-9(2)13-7-11(14-8-19-15(16)18-14)10-5-3-4-6-12(10)17-13/h3-9H,1-2H3,(H2,16,18)
InChIKeyJSWOGDVSBNNAGR-UHFFFAOYSA-N
XLogP4.06
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine
CID 82447779
4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 82495942
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
4-(2-aminophenyl)-1,3-thiazol-2-amine
CID 28865398
2-(2-propan-2-ylquinolin-4-yl)acetic acid
CID 82081543
3-(2-amino-1,3-thiazol-4-yl)-1-methyl-6-propan-2-ylpyridin-2-one
CID 82524566
4-(2-ethylphenyl)-1,3-thiazol-2-amine
CID 112562140
[2-(2-amino-1,3-thiazol-4-yl)phenyl]methanol
CID 105459084
2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 16562926
2-(2-methylquinolin-4-yl)-4-phenyl-1,3-thiazole
CID 103597581
4-[(E)-2-(6-propan-2-yl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine
CID 169049370
3-propan-2-ylbenzo[f][1,7]naphthyridin-5-amine
CID 66875756

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine (CID 82447778) is 4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine is CC(C)c1cc(-c2csc(N)n2)c2ccccc2n1.
What is the InChIKey of 4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is JSWOGDVSBNNAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-9(2)13-7-11(14-8-19-15(16)18-14)10-5-3-4-6-12(10)17-13/h3-9H,1-2H3,(H2,16,18).
What are the key properties of 4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine?
4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 269.37 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82447778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).