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

C11H20N2S — CID 65168755

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
SMILESCc1nc(C(C(C)C)C(C)N)sc1C
InChIInChI=1S/C11H20N2S/c1-6(2)10(7(3)12)11-13-8(4)9(5)14-11/h6-7,10H,12H2,1-5H3
InChIKeyVPIYIJZOYLUMKY-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.85
Rot. Bonds3

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

3-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine (PubChem CID 65168755) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
PubChem CID65168755
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
SMILESCc1nc(C(C(C)C)C(C)N)sc1C
InChIInChI=1S/C11H20N2S/c1-6(2)10(7(3)12)11-13-8(4)9(5)14-11/h6-7,10H,12H2,1-5H3
InChIKeyVPIYIJZOYLUMKY-UHFFFAOYSA-N
XLogP2.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine (CID 65168755) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine is Cc1nc(C(C(C)C)C(C)N)sc1C.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine?
The InChIKey is VPIYIJZOYLUMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-6(2)10(7(3)12)11-13-8(4)9(5)14-11/h6-7,10H,12H2,1-5H3.
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine?
3-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine has a molecular weight of 212.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine is sourced from PubChem (CID 65168755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).