3-(2-cyclobutyl-1,3-thiazol-5-yl)-5-methylaniline;ethane

C18H28N2S — CID 144869905

IUPAC3-(2-cyclobutyl-1,3-thiazol-5-yl)-5-methylaniline;ethane
SMILESCC.CC.Cc1cc(N)cc(-c2cnc(C3CCC3)s2)c1
InChIInChI=1S/C14H16N2S.2C2H6/c1-9-5-11(7-12(15)6-9)13-8-16-14(17-13)10-3-2-4-10;2*1-2/h5-8,10H,2-4,15H2,1H3;2*1-2H3
InChIKeyPHGSKAPFUBNHHL-UHFFFAOYSA-N
MW304.50 g/mol
LogP6.02
Rot. Bonds2

About 3-(2-cyclobutyl-1,3-thiazol-5-yl)-5-methylaniline;ethane

3-(2-cyclobutyl-1,3-thiazol-5-yl)-5-methylaniline;ethane (PubChem CID 144869905) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 3-(2-cyclobutyl-1,3-thiazol-5-yl)-5-methylaniline;ethane.

Molecular Properties

Compound Name3-(2-cyclobutyl-1,3-thiazol-5-yl)-5-methylaniline;ethane
PubChem CID144869905
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC Name3-(2-cyclobutyl-1,3-thiazol-5-yl)-5-methylaniline;ethane
SMILESCC.CC.Cc1cc(N)cc(-c2cnc(C3CCC3)s2)c1
InChIInChI=1S/C14H16N2S.2C2H6/c1-9-5-11(7-12(15)6-9)13-8-16-14(17-13)10-3-2-4-10;2*1-2/h5-8,10H,2-4,15H2,1H3;2*1-2H3
InChIKeyPHGSKAPFUBNHHL-UHFFFAOYSA-N
XLogP6.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.50
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(2-cyclobutyl-1,3-thiazol-5-yl)-5-methylaniline;ethane 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 3-(2-cyclobutyl-1,3-thiazol-5-yl)-5-methylaniline;ethane?
The IUPAC name of 3-(2-cyclobutyl-1,3-thiazol-5-yl)-5-methylaniline;ethane (CID 144869905) is 3-(2-cyclobutyl-1,3-thiazol-5-yl)-5-methylaniline;ethane.
What is the SMILES notation for 3-(2-cyclobutyl-1,3-thiazol-5-yl)-5-methylaniline;ethane?
The canonical SMILES for 3-(2-cyclobutyl-1,3-thiazol-5-yl)-5-methylaniline;ethane is CC.CC.Cc1cc(N)cc(-c2cnc(C3CCC3)s2)c1.
What is the InChIKey of 3-(2-cyclobutyl-1,3-thiazol-5-yl)-5-methylaniline;ethane?
The InChIKey is PHGSKAPFUBNHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S.2C2H6/c1-9-5-11(7-12(15)6-9)13-8-16-14(17-13)10-3-2-4-10;2*1-2/h5-8,10H,2-4,15H2,1H3;2*1-2H3.
What are the key properties of 3-(2-cyclobutyl-1,3-thiazol-5-yl)-5-methylaniline;ethane?
3-(2-cyclobutyl-1,3-thiazol-5-yl)-5-methylaniline;ethane has a molecular weight of 304.50 g/mol, XLogP of 6.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutyl-1,3-thiazol-5-yl)-5-methylaniline;ethane is sourced from PubChem (CID 144869905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).