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

C9H16N2S — CID 116887192

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCCC(CN)c1sc(C)nc1C
InChIInChI=1S/C9H16N2S/c1-4-8(5-10)9-6(2)11-7(3)12-9/h8H,4-5,10H2,1-3H3
InChIKeyOMIXERNJSVHGFK-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.21
Rot. Bonds3

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

2-(2,4-dimethyl-1,3-thiazol-5-yl)butan-1-amine (PubChem CID 116887192) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)butan-1-amine
PubChem CID116887192
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCCC(CN)c1sc(C)nc1C
InChIInChI=1S/C9H16N2S/c1-4-8(5-10)9-6(2)11-7(3)12-9/h8H,4-5,10H2,1-3H3
InChIKeyOMIXERNJSVHGFK-UHFFFAOYSA-N
XLogP2.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)butan-1-amine?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)butan-1-amine (CID 116887192) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)butan-1-amine?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)butan-1-amine is CCC(CN)c1sc(C)nc1C.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)butan-1-amine?
The InChIKey is OMIXERNJSVHGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-4-8(5-10)9-6(2)11-7(3)12-9/h8H,4-5,10H2,1-3H3.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)butan-1-amine?
2-(2,4-dimethyl-1,3-thiazol-5-yl)butan-1-amine has a molecular weight of 184.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 116887192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).