3-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-N-methylaniline

C15H18N2S — CID 116968523

IUPAC3-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-N-methylaniline
SMILESCNc1cccc(Cc2nc(C3CCC3)cs2)c1
InChIInChI=1S/C15H18N2S/c1-16-13-7-2-4-11(8-13)9-15-17-14(10-18-15)12-5-3-6-12/h2,4,7-8,10,12,16H,3,5-6,9H2,1H3
InChIKeyDSLSJUUOBXSYAQ-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.04
Rot. Bonds4

About 3-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-N-methylaniline

3-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-N-methylaniline (PubChem CID 116968523) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 3-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-N-methylaniline
PubChem CID116968523
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name3-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-N-methylaniline
SMILESCNc1cccc(Cc2nc(C3CCC3)cs2)c1
InChIInChI=1S/C15H18N2S/c1-16-13-7-2-4-11(8-13)9-15-17-14(10-18-15)12-5-3-6-12/h2,4,7-8,10,12,16H,3,5-6,9H2,1H3
InChIKeyDSLSJUUOBXSYAQ-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-N-methylaniline?
The IUPAC name of 3-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-N-methylaniline (CID 116968523) is 3-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-N-methylaniline.
What is the SMILES notation for 3-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-N-methylaniline?
The canonical SMILES for 3-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-N-methylaniline is CNc1cccc(Cc2nc(C3CCC3)cs2)c1.
What is the InChIKey of 3-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-N-methylaniline?
The InChIKey is DSLSJUUOBXSYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-16-13-7-2-4-11(8-13)9-15-17-14(10-18-15)12-5-3-6-12/h2,4,7-8,10,12,16H,3,5-6,9H2,1H3.
What are the key properties of 3-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-N-methylaniline?
3-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-N-methylaniline has a molecular weight of 258.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-N-methylaniline is sourced from PubChem (CID 116968523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).