1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine

C12H20N2S — CID 103169254

IUPAC1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCc1nc(CC(N)CC2CCC2)sc1C
InChIInChI=1S/C12H20N2S/c1-8-9(2)15-12(14-8)7-11(13)6-10-4-3-5-10/h10-11H,3-7,13H2,1-2H3
InChIKeyWGCHFMRHJMZQHV-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.82
Rot. Bonds4

About 1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine

1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 103169254) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID103169254
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCc1nc(CC(N)CC2CCC2)sc1C
InChIInChI=1S/C12H20N2S/c1-8-9(2)15-12(14-8)7-11(13)6-10-4-3-5-10/h10-11H,3-7,13H2,1-2H3
InChIKeyWGCHFMRHJMZQHV-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 103170711
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine
CID 105171707
1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine
CID 65168639
1-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 65168478
[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105326738
[1-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxypropan-2-yl]hydrazine
CID 105272640
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methoxy-4-methylpentan-2-amine
CID 103028643
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methyloxolan-3-yl)ethanamine
CID 105019956
1-cyclohexyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 105014924
[1-cyclopropyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethoxypropan-2-yl]hydrazine
CID 105272985
1-(cyclobutylmethyl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111817439
N-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine
CID 115926877

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine (CID 103169254) is 1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine is Cc1nc(CC(N)CC2CCC2)sc1C.
What is the InChIKey of 1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is WGCHFMRHJMZQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-8-9(2)15-12(14-8)7-11(13)6-10-4-3-5-10/h10-11H,3-7,13H2,1-2H3.
What are the key properties of 1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine?
1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 224.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 103169254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).