2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine

C12H22N2S — CID 61334818

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine
SMILESCCC(C)(NC(C)C)c1nc(C)c(C)s1
InChIInChI=1S/C12H22N2S/c1-7-12(6,14-8(2)3)11-13-9(4)10(5)15-11/h8,14H,7H2,1-6H3
InChIKeyXFPAJWPACSQEGK-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.38
Rot. Bonds4

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine

2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine (PubChem CID 61334818) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine
PubChem CID61334818
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine
SMILESCCC(C)(NC(C)C)c1nc(C)c(C)s1
InChIInChI=1S/C12H22N2S/c1-7-12(6,14-8(2)3)11-13-9(4)10(5)15-11/h8,14H,7H2,1-6H3
InChIKeyXFPAJWPACSQEGK-UHFFFAOYSA-N
XLogP3.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine (CID 61334818) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine is CCC(C)(NC(C)C)c1nc(C)c(C)s1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine?
The InChIKey is XFPAJWPACSQEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-7-12(6,14-8(2)3)11-13-9(4)10(5)15-11/h8,14H,7H2,1-6H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine has a molecular weight of 226.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 61334818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).