ethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate

C14H23N3O3S — CID 62011847

IUPACethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate
SMILESCCOC(=O)CCN(C)Cc1csc(CC(=O)N(C)C)n1
InChIInChI=1S/C14H23N3O3S/c1-5-20-14(19)6-7-17(4)9-11-10-21-12(15-11)8-13(18)16(2)3/h10H,5-9H2,1-4H3
InChIKeyBVEVMMPLWSEFCK-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.16
Rot. Bonds8

About ethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate

ethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate (PubChem CID 62011847) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is ethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate
PubChem CID62011847
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Nameethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate
SMILESCCOC(=O)CCN(C)Cc1csc(CC(=O)N(C)C)n1
InChIInChI=1S/C14H23N3O3S/c1-5-20-14(19)6-7-17(4)9-11-10-21-12(15-11)8-13(18)16(2)3/h10H,5-9H2,1-4H3
InChIKeyBVEVMMPLWSEFCK-UHFFFAOYSA-N
XLogP1.16
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate
CID 78993745
2-[4-(iodomethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 64787196
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide
CID 82112319
N,N-dimethyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 51076387
2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 43249455
ethyl 3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoate
CID 103485384
ethyl 4-[[2-aminoethyl(methyl)amino]methyl]-1,3-thiazole-2-carboxylate
CID 62686652
2-(4-ethyl-1,3-thiazol-2-yl)acetamide
CID 116970126
ethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate
CID 78993755
2-[4-[[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 79410604
2-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-methylbutanoic acid
CID 105353977
2-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methylamino]-3-methylbutanoic acid
CID 43468665

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate?
The IUPAC name of ethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate (CID 62011847) is ethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate?
The canonical SMILES for ethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate is CCOC(=O)CCN(C)Cc1csc(CC(=O)N(C)C)n1.
What is the InChIKey of ethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate?
The InChIKey is BVEVMMPLWSEFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-20-14(19)6-7-17(4)9-11-10-21-12(15-11)8-13(18)16(2)3/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate?
ethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate has a molecular weight of 313.42 g/mol, XLogP of 1.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate is sourced from PubChem (CID 62011847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).