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

C15H18N2S — CID 104860018

IUPACN-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCc1nc(-c2cccc(NC3CC(C)C3)c2)cs1
InChIInChI=1S/C15H18N2S/c1-10-6-14(7-10)17-13-5-3-4-12(8-13)15-9-18-11(2)16-15/h3-5,8-10,14,17H,6-7H2,1-2H3
InChIKeyZMECKIFEMKEHDL-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.33
Rot. Bonds3

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

N-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline (PubChem CID 104860018) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound NameN-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
PubChem CID104860018
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCc1nc(-c2cccc(NC3CC(C)C3)c2)cs1
InChIInChI=1S/C15H18N2S/c1-10-6-14(7-10)17-13-5-3-4-12(8-13)15-9-18-11(2)16-15/h3-5,8-10,14,17H,6-7H2,1-2H3
InChIKeyZMECKIFEMKEHDL-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylcyclobutyl)-3-(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

Related Compounds

N-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 64500643
2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941008
N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43714323
(2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 120618174
1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560521
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
N-(3-methoxycyclobutyl)-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 106821266
(1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 9166489
3-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-4-ylmethyl)aniline
CID 62384496
ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole
CID 142374611
3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline
CID 82833997
N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 28541004

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The IUPAC name of N-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline (CID 104860018) is N-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for N-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for N-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline is Cc1nc(-c2cccc(NC3CC(C)C3)c2)cs1.
What is the InChIKey of N-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The InChIKey is ZMECKIFEMKEHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-10-6-14(7-10)17-13-5-3-4-12(8-13)15-9-18-11(2)16-15/h3-5,8-10,14,17H,6-7H2,1-2H3.
What are the key properties of N-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
N-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline has a molecular weight of 258.39 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 104860018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).