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

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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).