3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine

C15H18N2S — CID 63831294

IUPAC3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCc3cscn3)C2)c1
InChIInChI=1S/C15H18N2S/c1-11-3-2-4-12(5-11)13-6-14(7-13)16-8-15-9-18-10-17-15/h2-5,9-10,13-14,16H,6-8H2,1H3
InChIKeyUSIQYNIWMDXPSJ-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.49
Rot. Bonds4

About 3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine

3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine (PubChem CID 63831294) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
PubChem CID63831294
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCc3cscn3)C2)c1
InChIInChI=1S/C15H18N2S/c1-11-3-2-4-12(5-11)13-6-14(7-13)16-8-15-9-18-10-17-15/h2-5,9-10,13-14,16H,6-8H2,1H3
InChIKeyUSIQYNIWMDXPSJ-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine (CID 63831294) is 3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine is Cc1cccc(C2CC(NCc3cscn3)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine?
The InChIKey is USIQYNIWMDXPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-3-2-4-12(5-11)13-6-14(7-13)16-8-15-9-18-10-17-15/h2-5,9-10,13-14,16H,6-8H2,1H3.
What are the key properties of 3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine?
3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine has a molecular weight of 258.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 63831294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).