5-cyclobutyl-N-(2-methylpropyl)-1,3-thiazol-2-amine

C11H18N2S — CID 116812328

IUPAC5-cyclobutyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)CNc1ncc(C2CCC2)s1
InChIInChI=1S/C11H18N2S/c1-8(2)6-12-11-13-7-10(14-11)9-4-3-5-9/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyFDFNPUGTWRSJAJ-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.48
Rot. Bonds4

About 5-cyclobutyl-N-(2-methylpropyl)-1,3-thiazol-2-amine

5-cyclobutyl-N-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 116812328) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 5-cyclobutyl-N-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclobutyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID116812328
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name5-cyclobutyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)CNc1ncc(C2CCC2)s1
InChIInChI=1S/C11H18N2S/c1-8(2)6-12-11-13-7-10(14-11)9-4-3-5-9/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyFDFNPUGTWRSJAJ-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclobutyl-N-(2-methylpropyl)-1,3-thiazol-2-amine (CID 116812328) is 5-cyclobutyl-N-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclobutyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclobutyl-N-(2-methylpropyl)-1,3-thiazol-2-amine is CC(C)CNc1ncc(C2CCC2)s1.
What is the InChIKey of 5-cyclobutyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is FDFNPUGTWRSJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8(2)6-12-11-13-7-10(14-11)9-4-3-5-9/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 5-cyclobutyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
5-cyclobutyl-N-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 210.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 116812328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).