2-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine

C11H20N2S — CID 63019632

IUPAC2-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine
SMILESCCC(CC)(CN)Cc1cnc(C)s1
InChIInChI=1S/C11H20N2S/c1-4-11(5-2,8-12)6-10-7-13-9(3)14-10/h7H,4-6,8,12H2,1-3H3
InChIKeyRPQACZOEWHATAM-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.76
Rot. Bonds5

About 2-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine

2-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine (PubChem CID 63019632) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine
PubChem CID63019632
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine
SMILESCCC(CC)(CN)Cc1cnc(C)s1
InChIInChI=1S/C11H20N2S/c1-4-11(5-2,8-12)6-10-7-13-9(3)14-10/h7H,4-6,8,12H2,1-3H3
InChIKeyRPQACZOEWHATAM-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The IUPAC name of 2-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine (CID 63019632) is 2-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine is CCC(CC)(CN)Cc1cnc(C)s1.
What is the InChIKey of 2-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
The InChIKey is RPQACZOEWHATAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-4-11(5-2,8-12)6-10-7-13-9(3)14-10/h7H,4-6,8,12H2,1-3H3.
What are the key properties of 2-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine?
2-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 63019632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).