ethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate

C12H15N3O3S3 — CID 6463655

IUPACethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CSC2=NCCS2)n1
InChIInChI=1S/C12H15N3O3S3/c1-2-18-10(17)5-8-6-20-11(14-8)15-9(16)7-21-12-13-3-4-19-12/h6H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyFGXXEEACZXUXLJ-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.02
Rot. Bonds6

About ethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 6463655) has the molecular formula C12H15N3O3S3 and a molecular weight of 345.47 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID6463655
Molecular FormulaC12H15N3O3S3
Molecular Weight345.47 g/mol
Exact Mass345.03
IUPAC Nameethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CSC2=NCCS2)n1
InChIInChI=1S/C12H15N3O3S3/c1-2-18-10(17)5-8-6-20-11(14-8)15-9(16)7-21-12-13-3-4-19-12/h6H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyFGXXEEACZXUXLJ-UHFFFAOYSA-N
XLogP2.02
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-[[2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-[[2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 655853
ethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-[[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 6463655) is ethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CSC2=NCCS2)n1.
What is the InChIKey of ethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is FGXXEEACZXUXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S3/c1-2-18-10(17)5-8-6-20-11(14-8)15-9(16)7-21-12-13-3-4-19-12/h6H,2-5,7H2,1H3,(H,14,15,16).
What are the key properties of ethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 345.47 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 6463655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).