1-(2,4-dimethyl-1,3-thiazol-5-yl)-N,5,5-trimethylhex-3-yn-1-amine

C14H22N2S — CID 114190689

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-N,5,5-trimethylhex-3-yn-1-amine
SMILESCNC(CC#CC(C)(C)C)c1sc(C)nc1C
InChIInChI=1S/C14H22N2S/c1-10-13(17-11(2)16-10)12(15-6)8-7-9-14(3,4)5/h12,15H,8H2,1-6H3
InChIKeyOAAZEDJSNMQEPP-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.46
Rot. Bonds3

About 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N,5,5-trimethylhex-3-yn-1-amine

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N,5,5-trimethylhex-3-yn-1-amine (PubChem CID 114190689) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N,5,5-trimethylhex-3-yn-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N,5,5-trimethylhex-3-yn-1-amine
PubChem CID114190689
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N,5,5-trimethylhex-3-yn-1-amine
SMILESCNC(CC#CC(C)(C)C)c1sc(C)nc1C
InChIInChI=1S/C14H22N2S/c1-10-13(17-11(2)16-10)12(15-6)8-7-9-14(3,4)5/h12,15H,8H2,1-6H3
InChIKeyOAAZEDJSNMQEPP-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.46
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 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N,5,5-trimethylhex-3-yn-1-amine?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N,5,5-trimethylhex-3-yn-1-amine (CID 114190689) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N,5,5-trimethylhex-3-yn-1-amine.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N,5,5-trimethylhex-3-yn-1-amine?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N,5,5-trimethylhex-3-yn-1-amine is CNC(CC#CC(C)(C)C)c1sc(C)nc1C.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N,5,5-trimethylhex-3-yn-1-amine?
The InChIKey is OAAZEDJSNMQEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10-13(17-11(2)16-10)12(15-6)8-7-9-14(3,4)5/h12,15H,8H2,1-6H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N,5,5-trimethylhex-3-yn-1-amine?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N,5,5-trimethylhex-3-yn-1-amine has a molecular weight of 250.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N,5,5-trimethylhex-3-yn-1-amine is sourced from PubChem (CID 114190689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).