1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine

C11H18N2S — CID 130554851

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine
SMILESCNC1(c2nc(C)c(C)s2)CCC1C
InChIInChI=1S/C11H18N2S/c1-7-5-6-11(7,12-4)10-13-8(2)9(3)14-10/h7,12H,5-6H2,1-4H3
InChIKeyMVSHEQNNPMFYTR-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.60
Rot. Bonds2

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine (PubChem CID 130554851) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine
PubChem CID130554851
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine
SMILESCNC1(c2nc(C)c(C)s2)CCC1C
InChIInChI=1S/C11H18N2S/c1-7-5-6-11(7,12-4)10-13-8(2)9(3)14-10/h7,12H,5-6H2,1-4H3
InChIKeyMVSHEQNNPMFYTR-UHFFFAOYSA-N
XLogP2.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine (CID 130554851) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine is CNC1(c2nc(C)c(C)s2)CCC1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine?
The InChIKey is MVSHEQNNPMFYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-7-5-6-11(7,12-4)10-13-8(2)9(3)14-10/h7,12H,5-6H2,1-4H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine has a molecular weight of 210.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 130554851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).