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

C11H20N2S — CID 146534807

IUPAC2-methyl-1-(5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1cnc(C(NC(C)C)C(C)C)s1
InChIInChI=1S/C11H20N2S/c1-7(2)10(13-8(3)4)11-12-6-9(5)14-11/h6-8,10,13H,1-5H3
InChIKeyNWUXOZSNJCEFSS-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.15
Rot. Bonds4

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

2-methyl-1-(5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 146534807) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-methyl-1-(5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-1-amine
PubChem CID146534807
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-methyl-1-(5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1cnc(C(NC(C)C)C(C)C)s1
InChIInChI=1S/C11H20N2S/c1-7(2)10(13-8(3)4)11-12-6-9(5)14-11/h6-8,10,13H,1-5H3
InChIKeyNWUXOZSNJCEFSS-UHFFFAOYSA-N
XLogP3.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-1-(5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-1-amine (CID 146534807) is 2-methyl-1-(5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-1-(5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-1-(5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-1-amine is Cc1cnc(C(NC(C)C)C(C)C)s1.
What is the InChIKey of 2-methyl-1-(5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is NWUXOZSNJCEFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-7(2)10(13-8(3)4)11-12-6-9(5)14-11/h6-8,10,13H,1-5H3.
What are the key properties of 2-methyl-1-(5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-1-amine?
2-methyl-1-(5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 146534807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).