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

C11H20N2S — CID 58519653

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine
SMILESCc1nc(C(C)(C)NC(C)C)c(C)s1
InChIInChI=1S/C11H20N2S/c1-7(2)13-11(5,6)10-8(3)14-9(4)12-10/h7,13H,1-6H3
InChIKeyNLFSLAGPVPRVGG-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.99
Rot. Bonds3

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

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine (PubChem CID 58519653) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine
PubChem CID58519653
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine
SMILESCc1nc(C(C)(C)NC(C)C)c(C)s1
InChIInChI=1S/C11H20N2S/c1-7(2)13-11(5,6)10-8(3)14-9(4)12-10/h7,13H,1-6H3
InChIKeyNLFSLAGPVPRVGG-UHFFFAOYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine (CID 58519653) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine is Cc1nc(C(C)(C)NC(C)C)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine?
The InChIKey is NLFSLAGPVPRVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-7(2)13-11(5,6)10-8(3)14-9(4)12-10/h7,13H,1-6H3.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine has a molecular weight of 212.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 58519653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).