2-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine

C12H20N2S — CID 116967390

IUPAC2-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1nc(C2CCC2)cs1
InChIInChI=1S/C12H20N2S/c1-8(2)10(6-13)12-14-11(7-15-12)9-4-3-5-9/h7-10H,3-6,13H2,1-2H3
InChIKeyNNBXXXYBKAFVOP-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.11
Rot. Bonds4

About 2-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine

2-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine (PubChem CID 116967390) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine
PubChem CID116967390
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1nc(C2CCC2)cs1
InChIInChI=1S/C12H20N2S/c1-8(2)10(6-13)12-14-11(7-15-12)9-4-3-5-9/h7-10H,3-6,13H2,1-2H3
InChIKeyNNBXXXYBKAFVOP-UHFFFAOYSA-N
XLogP3.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclobutyl-2-propan-2-yl-1,3-thiazole
CID 126992198
1-(4-cyclopentyl-1,3-thiazol-2-yl)ethanol
CID 63379753
2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine
CID 116903236
2-amino-2-(4-cyclopentyl-1,3-thiazol-2-yl)ethanol
CID 116966791
2-(4-cyclobutyl-1,3-thiazol-2-yl)-N-methylbutan-1-amine
CID 116967565
4-cyclohexyl-2-(2-methyl-1-piperidin-4-ylpropyl)-1,3-thiazole
CID 69303483
2-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
CID 116967273
N,3-dimethyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967412
2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol
CID 116969693
2,4-di(cyclobutyl)-1,3-thiazole
CID 130688661
3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 116891409
[1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine
CID 116969391

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine?
The IUPAC name of 2-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine (CID 116967390) is 2-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine is CC(C)C(CN)c1nc(C2CCC2)cs1.
What is the InChIKey of 2-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine?
The InChIKey is NNBXXXYBKAFVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-8(2)10(6-13)12-14-11(7-15-12)9-4-3-5-9/h7-10H,3-6,13H2,1-2H3.
What are the key properties of 2-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine?
2-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutyl-1,3-thiazol-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 116967390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).