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

C12H22N2S — CID 58519678

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylpropan-2-amine
SMILESCc1nc(C(C)(C)N(C)C(C)C)sc1C
InChIInChI=1S/C12H22N2S/c1-8(2)14(7)12(5,6)11-13-9(3)10(4)15-11/h8H,1-7H3
InChIKeyOBRQGWQWZVTLNJ-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.34
Rot. Bonds3

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

2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylpropan-2-amine (PubChem CID 58519678) 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-methyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylpropan-2-amine
PubChem CID58519678
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylpropan-2-amine
SMILESCc1nc(C(C)(C)N(C)C(C)C)sc1C
InChIInChI=1S/C12H22N2S/c1-8(2)14(7)12(5,6)11-13-9(3)10(4)15-11/h8H,1-7H3
InChIKeyOBRQGWQWZVTLNJ-UHFFFAOYSA-N
XLogP3.34
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
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-methyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylpropan-2-amine (CID 58519678) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylpropan-2-amine is Cc1nc(C(C)(C)N(C)C(C)C)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylpropan-2-amine?
The InChIKey is OBRQGWQWZVTLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-8(2)14(7)12(5,6)11-13-9(3)10(4)15-11/h8H,1-7H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylpropan-2-amine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylpropan-2-amine has a molecular weight of 226.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 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-methyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 58519678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).