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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Related Compounds

2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82430776
2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432070
2-[4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82430560
2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82433136
5-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82430663
2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82433222
N-[[4-tert-butyl-2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82439489
2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432132
[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 82430647
2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82193761
4-ethyl-2-[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propyl]-5-methyl-1,3-thiazole
CID 110192228
N-[[2-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82433073

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).