4,4-diethyl-N-quinolin-3-yl-5H-1,3-thiazol-2-amine

C16H19N3S — CID 62781973

IUPAC4,4-diethyl-N-quinolin-3-yl-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2cnc3ccccc3c2)=N1
InChIInChI=1S/C16H19N3S/c1-3-16(4-2)11-20-15(19-16)18-13-9-12-7-5-6-8-14(12)17-10-13/h5-10H,3-4,11H2,1-2H3,(H,18,19)
InChIKeyRDVSAGAPEUOYRD-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.31
Rot. Bonds3

About 4,4-diethyl-N-quinolin-3-yl-5H-1,3-thiazol-2-amine

4,4-diethyl-N-quinolin-3-yl-5H-1,3-thiazol-2-amine (PubChem CID 62781973) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 4,4-diethyl-N-quinolin-3-yl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,4-diethyl-N-quinolin-3-yl-5H-1,3-thiazol-2-amine
PubChem CID62781973
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name4,4-diethyl-N-quinolin-3-yl-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2cnc3ccccc3c2)=N1
InChIInChI=1S/C16H19N3S/c1-3-16(4-2)11-20-15(19-16)18-13-9-12-7-5-6-8-14(12)17-10-13/h5-10H,3-4,11H2,1-2H3,(H,18,19)
InChIKeyRDVSAGAPEUOYRD-UHFFFAOYSA-N
XLogP4.31
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-N-quinolin-3-yl-5H-1,3-thiazol-2-amine?
The IUPAC name of 4,4-diethyl-N-quinolin-3-yl-5H-1,3-thiazol-2-amine (CID 62781973) is 4,4-diethyl-N-quinolin-3-yl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for 4,4-diethyl-N-quinolin-3-yl-5H-1,3-thiazol-2-amine?
The canonical SMILES for 4,4-diethyl-N-quinolin-3-yl-5H-1,3-thiazol-2-amine is CCC1(CC)CSC(Nc2cnc3ccccc3c2)=N1.
What is the InChIKey of 4,4-diethyl-N-quinolin-3-yl-5H-1,3-thiazol-2-amine?
The InChIKey is RDVSAGAPEUOYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-3-16(4-2)11-20-15(19-16)18-13-9-12-7-5-6-8-14(12)17-10-13/h5-10H,3-4,11H2,1-2H3,(H,18,19).
What are the key properties of 4,4-diethyl-N-quinolin-3-yl-5H-1,3-thiazol-2-amine?
4,4-diethyl-N-quinolin-3-yl-5H-1,3-thiazol-2-amine has a molecular weight of 285.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-N-quinolin-3-yl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 62781973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).