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

C12H20N2S — CID 115715095

IUPAC1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCC(CC1CCC1)NCCc1nccs1
InChIInChI=1S/C12H20N2S/c1-10(9-11-3-2-4-11)13-6-5-12-14-7-8-15-12/h7-8,10-11,13H,2-6,9H2,1H3
InChIKeyCJSDCBHOGSNIES-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.85
Rot. Bonds6

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

1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine (PubChem CID 115715095) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine
PubChem CID115715095
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCC(CC1CCC1)NCCc1nccs1
InChIInChI=1S/C12H20N2S/c1-10(9-11-3-2-4-11)13-6-5-12-14-7-8-15-12/h7-8,10-11,13H,2-6,9H2,1H3
InChIKeyCJSDCBHOGSNIES-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-Thiazol-2-yl)piperidine
CID 24261825
3-(2-Thiazolyl)piperidine
CID 24261802
2-(Piperidin-4-ylmethyl)thiazole
CID 24262107
3-((1,3-Thiazol-2-yl)methyl)piperidine
CID 24262127
4-(1,3-Thiazol-2-yl)piperidine dihydrochloride
CID 47003359
Methyl[2-(1,3-thiazol-2-yl)propyl]amine
CID 64989109
2-(7-Azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole
CID 49824351
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64488437
(2S)-1-(azepan-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 125527390
2-Heptan-3-yl-1,3-thiazole
CID 3023053
3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine
CID 71190891
2-[3-(1,3-Thiazol-2-yl)piperidin-1-yl]ethanamine
CID 121669495

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine (CID 115715095) is 1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine is CC(CC1CCC1)NCCc1nccs1.
What is the InChIKey of 1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
The InChIKey is CJSDCBHOGSNIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10(9-11-3-2-4-11)13-6-5-12-14-7-8-15-12/h7-8,10-11,13H,2-6,9H2,1H3.
What are the key properties of 1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine has a molecular weight of 224.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 115715095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).