2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylbutan-1-amine

C11H20N2S — CID 116887345

IUPAC2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylbutan-1-amine
SMILESCCc1nc(C)c(C(CC)CNC)s1
InChIInChI=1S/C11H20N2S/c1-5-9(7-12-4)11-8(3)13-10(6-2)14-11/h9,12H,5-7H2,1-4H3
InChIKeyDCPPNGNFZNGLOB-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.73
Rot. Bonds5

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

2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylbutan-1-amine (PubChem CID 116887345) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylbutan-1-amine
PubChem CID116887345
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylbutan-1-amine
SMILESCCc1nc(C)c(C(CC)CNC)s1
InChIInChI=1S/C11H20N2S/c1-5-9(7-12-4)11-8(3)13-10(6-2)14-11/h9,12H,5-7H2,1-4H3
InChIKeyDCPPNGNFZNGLOB-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylbutan-1-amine?
The IUPAC name of 2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylbutan-1-amine (CID 116887345) is 2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylbutan-1-amine?
The canonical SMILES for 2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylbutan-1-amine is CCc1nc(C)c(C(CC)CNC)s1.
What is the InChIKey of 2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylbutan-1-amine?
The InChIKey is DCPPNGNFZNGLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-5-9(7-12-4)11-8(3)13-10(6-2)14-11/h9,12H,5-7H2,1-4H3.
What are the key properties of 2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylbutan-1-amine?
2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylbutan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 116887345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).