2-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine

C12H23N3S — CID 82430651

IUPAC2-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCCc1nc(CCN(C)C)sc1C(C)(C)N
InChIInChI=1S/C12H23N3S/c1-6-9-11(12(2,3)13)16-10(14-9)7-8-15(4)5/h6-8,13H2,1-5H3
InChIKeyLFQCRTIGFWBIFB-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.00
Rot. Bonds5

About 2-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine

2-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82430651) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82430651
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name2-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCCc1nc(CCN(C)C)sc1C(C)(C)N
InChIInChI=1S/C12H23N3S/c1-6-9-11(12(2,3)13)16-10(14-9)7-8-15(4)5/h6-8,13H2,1-5H3
InChIKeyLFQCRTIGFWBIFB-UHFFFAOYSA-N
XLogP2.00
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine (CID 82430651) is 2-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine is CCc1nc(CCN(C)C)sc1C(C)(C)N.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is LFQCRTIGFWBIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-6-9-11(12(2,3)13)16-10(14-9)7-8-15(4)5/h6-8,13H2,1-5H3.
What are the key properties of 2-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine?
2-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 241.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82430651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).