1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,2,2-trimethylpropan-1-amine

C12H22N2S — CID 61332924

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,2,2-trimethylpropan-1-amine
SMILESCCc1nc(C(NC)C(C)(C)C)sc1C
InChIInChI=1S/C12H22N2S/c1-7-9-8(2)15-11(14-9)10(13-6)12(3,4)5/h10,13H,7H2,1-6H3
InChIKeyIPEBNOGEAXUDHD-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.32
Rot. Bonds3

About 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,2,2-trimethylpropan-1-amine

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,2,2-trimethylpropan-1-amine (PubChem CID 61332924) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,2,2-trimethylpropan-1-amine
PubChem CID61332924
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,2,2-trimethylpropan-1-amine
SMILESCCc1nc(C(NC)C(C)(C)C)sc1C
InChIInChI=1S/C12H22N2S/c1-7-9-8(2)15-11(14-9)10(13-6)12(3,4)5/h10,13H,7H2,1-6H3
InChIKeyIPEBNOGEAXUDHD-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,2,2-trimethylpropan-1-amine (CID 61332924) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,2,2-trimethylpropan-1-amine is CCc1nc(C(NC)C(C)(C)C)sc1C.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is IPEBNOGEAXUDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-7-9-8(2)15-11(14-9)10(13-6)12(3,4)5/h10,13H,7H2,1-6H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,2,2-trimethylpropan-1-amine?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 61332924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).