2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine

C15H15N3S — CID 63968062

IUPAC2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine
SMILESCC(C)c1nc(-c2cccc3cccnc23)c(N)s1
InChIInChI=1S/C15H15N3S/c1-9(2)15-18-13(14(16)19-15)11-7-3-5-10-6-4-8-17-12(10)11/h3-9H,16H2,1-2H3
InChIKeyUHIUQCSTJWBWHT-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.06
Rot. Bonds2

About 2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine

2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine (PubChem CID 63968062) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine
PubChem CID63968062
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine
SMILESCC(C)c1nc(-c2cccc3cccnc23)c(N)s1
InChIInChI=1S/C15H15N3S/c1-9(2)15-18-13(14(16)19-15)11-7-3-5-10-6-4-8-17-12(10)11/h3-9H,16H2,1-2H3
InChIKeyUHIUQCSTJWBWHT-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

Analyze 2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine?
The IUPAC name of 2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine (CID 63968062) is 2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine.
What is the SMILES notation for 2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine?
The canonical SMILES for 2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine is CC(C)c1nc(-c2cccc3cccnc23)c(N)s1.
What is the InChIKey of 2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine?
The InChIKey is UHIUQCSTJWBWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-9(2)15-18-13(14(16)19-15)11-7-3-5-10-6-4-8-17-12(10)11/h3-9H,16H2,1-2H3.
What are the key properties of 2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine?
2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-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 2-propan-2-yl-4-quinolin-8-yl-1,3-thiazol-5-amine is sourced from PubChem (CID 63968062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).