N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine

C11H20N2S — CID 115888092

IUPACN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCc1nc(C)sc1C
InChIInChI=1S/C11H20N2S/c1-5-8(2)6-12-7-11-9(3)14-10(4)13-11/h8,12H,5-7H2,1-4H3
InChIKeyQZKJQVZPLLNQHF-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.90
Rot. Bonds5

About N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine

N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine (PubChem CID 115888092) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine
PubChem CID115888092
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCc1nc(C)sc1C
InChIInChI=1S/C11H20N2S/c1-5-8(2)6-12-7-11-9(3)14-10(4)13-11/h8,12H,5-7H2,1-4H3
InChIKeyQZKJQVZPLLNQHF-UHFFFAOYSA-N
XLogP2.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine?
The IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine (CID 115888092) is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine is CCC(C)CNCc1nc(C)sc1C.
What is the InChIKey of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine?
The InChIKey is QZKJQVZPLLNQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-5-8(2)6-12-7-11-9(3)14-10(4)13-11/h8,12H,5-7H2,1-4H3.
What are the key properties of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine?
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 115888092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).