N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine

C12H20N2S — CID 115697267

IUPACN-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine
SMILESCCCCNCc1cnc(C2CCC2)s1
InChIInChI=1S/C12H20N2S/c1-2-3-7-13-8-11-9-14-12(15-11)10-5-4-6-10/h9-10,13H,2-8H2,1H3
InChIKeyKZIOCYBXXLRMIX-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.30
Rot. Bonds6

About N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine

N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine (PubChem CID 115697267) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine
PubChem CID115697267
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine
SMILESCCCCNCc1cnc(C2CCC2)s1
InChIInChI=1S/C12H20N2S/c1-2-3-7-13-8-11-9-14-12(15-11)10-5-4-6-10/h9-10,13H,2-8H2,1H3
InChIKeyKZIOCYBXXLRMIX-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The IUPAC name of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine (CID 115697267) is N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine is CCCCNCc1cnc(C2CCC2)s1.
What is the InChIKey of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The InChIKey is KZIOCYBXXLRMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-3-7-13-8-11-9-14-12(15-11)10-5-4-6-10/h9-10,13H,2-8H2,1H3.
What are the key properties of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 115697267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).