ethyl 2-[methyl-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]amino]acetate

C19H25N3O3S — CID 52825036

IUPACethyl 2-[methyl-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]amino]acetate
SMILESCCOC(=O)CN(C)CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1
InChIInChI=1S/C19H25N3O3S/c1-6-25-18(24)10-22(5)9-17(23)21-19-20-16(11-26-19)15-8-13(3)12(2)7-14(15)4/h7-8,11H,6,9-10H2,1-5H3,(H,20,21,23)
InChIKeyDBHRDPFWSKFYFQ-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.17
Rot. Bonds7

About ethyl 2-[methyl-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]amino]acetate

ethyl 2-[methyl-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]amino]acetate (PubChem CID 52825036) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]amino]acetate
PubChem CID52825036
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Nameethyl 2-[methyl-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]amino]acetate
SMILESCCOC(=O)CN(C)CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1
InChIInChI=1S/C19H25N3O3S/c1-6-25-18(24)10-22(5)9-17(23)21-19-20-16(11-26-19)15-8-13(3)12(2)7-14(15)4/h7-8,11H,6,9-10H2,1-5H3,(H,20,21,23)
InChIKeyDBHRDPFWSKFYFQ-UHFFFAOYSA-N
XLogP3.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[methyl-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]amino]acetate with MolForge

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Related Compounds

2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8871898
2-(4-methoxyphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924821
2-(4-bromophenyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4673905
2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3310660
2-(4-chloro-3-methylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924827
(3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 7924768
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 55497388
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
ethyl 3-[[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropanoate
CID 164907004
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 24593910
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 30136380
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 41189202

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]amino]acetate (CID 52825036) is ethyl 2-[methyl-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]amino]acetate is CCOC(=O)CN(C)CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1.
What is the InChIKey of ethyl 2-[methyl-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]amino]acetate?
The InChIKey is DBHRDPFWSKFYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-6-25-18(24)10-22(5)9-17(23)21-19-20-16(11-26-19)15-8-13(3)12(2)7-14(15)4/h7-8,11H,6,9-10H2,1-5H3,(H,20,21,23).
What are the key properties of ethyl 2-[methyl-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]amino]acetate?
ethyl 2-[methyl-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]amino]acetate has a molecular weight of 375.49 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[2-oxo-2-[[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]amino]acetate is sourced from PubChem (CID 52825036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).