N-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline

C15H18N2OS — CID 106821266

IUPACN-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCOC1CC(Nc2ccc(-c3csc(C)n3)cc2)C1
InChIInChI=1S/C15H18N2OS/c1-10-16-15(9-19-10)11-3-5-12(6-4-11)17-13-7-14(8-13)18-2/h3-6,9,13-14,17H,7-8H2,1-2H3
InChIKeyLMSCQDOXZWYMLM-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.71
Rot. Bonds4

About N-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline

N-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline (PubChem CID 106821266) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline
PubChem CID106821266
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCOC1CC(Nc2ccc(-c3csc(C)n3)cc2)C1
InChIInChI=1S/C15H18N2OS/c1-10-16-15(9-19-10)11-3-5-12(6-4-11)17-13-7-14(8-13)18-2/h3-6,9,13-14,17H,7-8H2,1-2H3
InChIKeyLMSCQDOXZWYMLM-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline 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 N-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline?
The IUPAC name of N-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline (CID 106821266) is N-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for N-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for N-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline is COC1CC(Nc2ccc(-c3csc(C)n3)cc2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline?
The InChIKey is LMSCQDOXZWYMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-16-15(9-19-10)11-3-5-12(6-4-11)17-13-7-14(8-13)18-2/h3-6,9,13-14,17H,7-8H2,1-2H3.
What are the key properties of N-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline?
N-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline has a molecular weight of 274.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 106821266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).