3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine

C12H20N2S — CID 103561913

IUPAC3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
SMILESCC(C)C1CC(NCCc2nccs2)C1
InChIInChI=1S/C12H20N2S/c1-9(2)10-7-11(8-10)13-4-3-12-14-5-6-15-12/h5-6,9-11,13H,3-4,7-8H2,1-2H3
InChIKeyOLGOOQMJJBLGHV-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.71
Rot. Bonds5

About 3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine

3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 103561913) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
PubChem CID103561913
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
SMILESCC(C)C1CC(NCCc2nccs2)C1
InChIInChI=1S/C12H20N2S/c1-9(2)10-7-11(8-10)13-4-3-12-14-5-6-15-12/h5-6,9-11,13H,3-4,7-8H2,1-2H3
InChIKeyOLGOOQMJJBLGHV-UHFFFAOYSA-N
XLogP2.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64745631
1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
CID 79459271
3-(4-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63242564
3-propan-2-yl-N-(2-pyridin-2-ylethyl)cyclobutan-1-amine
CID 103560787
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine
CID 65075080
N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240568
4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 63242595
1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115715095
1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 55175411
N-[4-(1,3-thiazol-2-yl)butyl]thietan-3-amine
CID 170898385
2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thian-3-amine
CID 79957326
N-propyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824744

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine (CID 103561913) is 3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine is CC(C)C1CC(NCCc2nccs2)C1.
What is the InChIKey of 3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is OLGOOQMJJBLGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9(2)10-7-11(8-10)13-4-3-12-14-5-6-15-12/h5-6,9-11,13H,3-4,7-8H2,1-2H3.
What are the key properties of 3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 103561913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).