ethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate

C16H14ClN3O2S2 — CID 58791720

IUPACethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2nc(-c3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C16H14ClN3O2S2/c1-2-22-14(21)7-12-8-23-15(18-12)20-16-19-13(9-24-16)10-3-5-11(17)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,18,19,20)
InChIKeyZWAJOSHRHCGRCA-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.77
Rot. Bonds6

About ethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 58791720) has the molecular formula C16H14ClN3O2S2 and a molecular weight of 379.89 g/mol. Its IUPAC name is ethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID58791720
Molecular FormulaC16H14ClN3O2S2
Molecular Weight379.89 g/mol
Exact Mass379.02
IUPAC Nameethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2nc(-c3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C16H14ClN3O2S2/c1-2-22-14(21)7-12-8-23-15(18-12)20-16-19-13(9-24-16)10-3-5-11(17)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,18,19,20)
InChIKeyZWAJOSHRHCGRCA-UHFFFAOYSA-N
XLogP4.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-(4-chloro-3-fluoroanilino)-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-(4-carbamoylanilino)-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-[2-[[2-(4-chlorophenyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate
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ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate (CID 58791720) is ethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(Nc2nc(-c3ccc(Cl)cc3)cs2)n1.
What is the InChIKey of ethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ZWAJOSHRHCGRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S2/c1-2-22-14(21)7-12-8-23-15(18-12)20-16-19-13(9-24-16)10-3-5-11(17)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,18,19,20).
What are the key properties of ethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 379.89 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 58791720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).