ethyl 2-[2-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate

C18H18N4O3S2 — CID 3212452

IUPACethyl 2-[2-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)n1
InChIInChI=1S/C18H18N4O3S2/c1-2-25-16(24)8-13-10-26-18(20-13)22-15(23)11-27-17-19-9-14(21-17)12-6-4-3-5-7-12/h3-7,9-10H,2,8,11H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyLDLMVRXWQOLNHQ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.37
Rot. Bonds8

About ethyl 2-[2-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 3212452) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID3212452
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC Nameethyl 2-[2-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)n1
InChIInChI=1S/C18H18N4O3S2/c1-2-25-16(24)8-13-10-26-18(20-13)22-15(23)11-27-17-19-9-14(21-17)12-6-4-3-5-7-12/h3-7,9-10H,2,8,11H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyLDLMVRXWQOLNHQ-UHFFFAOYSA-N
XLogP3.37
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 7672383
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2336920
ethyl 2-[2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 8787099
ethyl 4-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]butanoate
CID 35039348
ethyl 2-(N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]anilino)acetate
CID 55547450
ethyl 2-[2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2382096
ethyl 2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2348497
ethyl 2-[2-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 6463655
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806429
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
ethyl 2-[2-[[2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 17270069
N-(4-acetamidophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16809577

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 3212452) is ethyl 2-[2-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)n1.
What is the InChIKey of ethyl 2-[2-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is LDLMVRXWQOLNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-2-25-16(24)8-13-10-26-18(20-13)22-15(23)11-27-17-19-9-14(21-17)12-6-4-3-5-7-12/h3-7,9-10H,2,8,11H2,1H3,(H,19,21)(H,20,22,23).
What are the key properties of ethyl 2-[2-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 402.50 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 3212452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).