N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine

C11H16N2S — CID 64988262

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NCc1sc(C)nc1C
InChIInChI=1S/C11H16N2S/c1-6-11(4,5)12-7-10-8(2)13-9(3)14-10/h1,12H,7H2,2-5H3
InChIKeyBFQQUKOHYUOPLJ-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.26
Rot. Bonds3

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine (PubChem CID 64988262) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine
PubChem CID64988262
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NCc1sc(C)nc1C
InChIInChI=1S/C11H16N2S/c1-6-11(4,5)12-7-10-8(2)13-9(3)14-10/h1,12H,7H2,2-5H3
InChIKeyBFQQUKOHYUOPLJ-UHFFFAOYSA-N
XLogP2.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine (CID 64988262) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine is C#CC(C)(C)NCc1sc(C)nc1C.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine?
The InChIKey is BFQQUKOHYUOPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-6-11(4,5)12-7-10-8(2)13-9(3)14-10/h1,12H,7H2,2-5H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine has a molecular weight of 208.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine is sourced from PubChem (CID 64988262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).