1-[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine

C10H19N3OS — CID 82441447

IUPAC1-[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCOCc1nc(CN(C)C)sc1C(C)N
InChIInChI=1S/C10H19N3OS/c1-7(11)10-8(6-14-4)12-9(15-10)5-13(2)3/h7H,5-6,11H2,1-4H3
InChIKeyGAJFYFJKSLIJTN-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.37
Rot. Bonds5

About 1-[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine

1-[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 82441447) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID82441447
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name1-[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCOCc1nc(CN(C)C)sc1C(C)N
InChIInChI=1S/C10H19N3OS/c1-7(11)10-8(6-14-4)12-9(15-10)5-13(2)3/h7H,5-6,11H2,1-4H3
InChIKeyGAJFYFJKSLIJTN-UHFFFAOYSA-N
XLogP1.37
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2,4-bis(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 82441413
1-[4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine
CID 82441721
1-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]ethanamine
CID 82437555
1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 82440458
1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine
CID 82428207
N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441422
2-[4-(methoxymethyl)-5-(methylaminomethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82441600
1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine
CID 82432080
1-[2-[(dimethylamino)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82435165
1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 82441470
2-[(dimethylamino)methyl]-4-ethyl-1,3-thiazole-5-carbothioamide
CID 82430404
5-[2-[(dimethylamino)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82435187

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine (CID 82441447) is 1-[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine is COCc1nc(CN(C)C)sc1C(C)N.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is GAJFYFJKSLIJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-7(11)10-8(6-14-4)12-9(15-10)5-13(2)3/h7H,5-6,11H2,1-4H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine?
1-[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 229.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82441447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).