N-ethyl-4-(2,6,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine

C17H19N3S — CID 82448532

IUPACN-ethyl-4-(2,6,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cc(C)nc3c(C)cc(C)cc23)cs1
InChIInChI=1S/C17H19N3S/c1-5-18-17-20-15(9-21-17)13-8-12(4)19-16-11(3)6-10(2)7-14(13)16/h6-9H,5H2,1-4H3,(H,18,20)
InChIKeyVDCZIFOCZMXOSG-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.72
Rot. Bonds3

About N-ethyl-4-(2,6,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine

N-ethyl-4-(2,6,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine (PubChem CID 82448532) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N-ethyl-4-(2,6,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2,6,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine
PubChem CID82448532
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN-ethyl-4-(2,6,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cc(C)nc3c(C)cc(C)cc23)cs1
InChIInChI=1S/C17H19N3S/c1-5-18-17-20-15(9-21-17)13-8-12(4)19-16-11(3)6-10(2)7-14(13)16/h6-9H,5H2,1-4H3,(H,18,20)
InChIKeyVDCZIFOCZMXOSG-UHFFFAOYSA-N
XLogP4.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2,6,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-4-(2,6,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine (CID 82448532) is N-ethyl-4-(2,6,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-4-(2,6,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-4-(2,6,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine is CCNc1nc(-c2cc(C)nc3c(C)cc(C)cc23)cs1.
What is the InChIKey of N-ethyl-4-(2,6,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is VDCZIFOCZMXOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-5-18-17-20-15(9-21-17)13-8-12(4)19-16-11(3)6-10(2)7-14(13)16/h6-9H,5H2,1-4H3,(H,18,20).
What are the key properties of N-ethyl-4-(2,6,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine?
N-ethyl-4-(2,6,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 297.43 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2,6,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82448532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).