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

C18H18N2O2S2 — CID 71580227

IUPACethyl 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1sc(Cc2nc(C)cs2)nc1-c1ccccc1
InChIInChI=1S/C18H18N2O2S2/c1-3-22-17(21)9-14-18(13-7-5-4-6-8-13)20-16(24-14)10-15-19-12(2)11-23-15/h4-8,11H,3,9-10H2,1-2H3
InChIKeyXXGUJRQMFBWODQ-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.27
Rot. Bonds6

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

ethyl 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetate (PubChem CID 71580227) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is ethyl 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetate
PubChem CID71580227
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Nameethyl 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1sc(Cc2nc(C)cs2)nc1-c1ccccc1
InChIInChI=1S/C18H18N2O2S2/c1-3-22-17(21)9-14-18(13-7-5-4-6-8-13)20-16(24-14)10-15-19-12(2)11-23-15/h4-8,11H,3,9-10H2,1-2H3
InChIKeyXXGUJRQMFBWODQ-UHFFFAOYSA-N
XLogP4.27
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole
CID 9422762
ethyl 6-(4,5-diphenyl-1,3-thiazol-2-yl)hexanoate
CID 69005381
ethyl 2-(2-benzothiophen-1-yl)acetate
CID 125467853
[2-[(2-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177624
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 71579825
4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 62795474
ethyl 2-[5-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetate
CID 18708830
4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
CID 116553119
ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate
CID 13041827
ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
CID 14971801
ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate
CID 7140220
ethyl 2-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]acetate
CID 80574337

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetate (CID 71580227) is ethyl 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetate is CCOC(=O)Cc1sc(Cc2nc(C)cs2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetate?
The InChIKey is XXGUJRQMFBWODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-3-22-17(21)9-14-18(13-7-5-4-6-8-13)20-16(24-14)10-15-19-12(2)11-23-15/h4-8,11H,3,9-10H2,1-2H3.
What are the key properties of ethyl 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetate?
ethyl 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetate has a molecular weight of 358.49 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 71580227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).