[4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine

C14H16N2S — CID 64986273

IUPAC[4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine
SMILESNCc1ccc(-c2csc(C3CCC3)n2)cc1
InChIInChI=1S/C14H16N2S/c15-8-10-4-6-11(7-5-10)13-9-17-14(16-13)12-2-1-3-12/h4-7,9,12H,1-3,8,15H2
InChIKeyMDZBTRZPMMHCLX-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.54
Rot. Bonds3

About [4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine

[4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine (PubChem CID 64986273) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is [4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine
PubChem CID64986273
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name[4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine
SMILESNCc1ccc(-c2csc(C3CCC3)n2)cc1
InChIInChI=1S/C14H16N2S/c15-8-10-4-6-11(7-5-10)13-9-17-14(16-13)12-2-1-3-12/h4-7,9,12H,1-3,8,15H2
InChIKeyMDZBTRZPMMHCLX-UHFFFAOYSA-N
XLogP3.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine?
The IUPAC name of [4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine (CID 64986273) is [4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine?
The canonical SMILES for [4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine is NCc1ccc(-c2csc(C3CCC3)n2)cc1.
What is the InChIKey of [4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine?
The InChIKey is MDZBTRZPMMHCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c15-8-10-4-6-11(7-5-10)13-9-17-14(16-13)12-2-1-3-12/h4-7,9,12H,1-3,8,15H2.
What are the key properties of [4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine?
[4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine has a molecular weight of 244.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 64986273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).