ethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C18H16ClN3O3S2 — CID 16557369

IUPACethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)nc1C
InChIInChI=1S/C18H16ClN3O3S2/c1-3-25-17(24)15-10(2)20-18(27-15)22-14(23)8-13-9-26-16(21-13)11-4-6-12(19)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,20,22,23)
InChIKeyMRWWDSBGYQOSJE-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.59
Rot. Bonds6

About ethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 16557369) has the molecular formula C18H16ClN3O3S2 and a molecular weight of 421.93 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID16557369
Molecular FormulaC18H16ClN3O3S2
Molecular Weight421.93 g/mol
Exact Mass421.03
IUPAC Nameethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)nc1C
InChIInChI=1S/C18H16ClN3O3S2/c1-3-25-17(24)15-10(2)20-18(27-15)22-14(23)8-13-9-26-16(21-13)11-4-6-12(19)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,20,22,23)
InChIKeyMRWWDSBGYQOSJE-UHFFFAOYSA-N
XLogP4.59
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3582528
ethyl 2-[(4-chlorobenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2281451
ethyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84558528
ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 41145800
ethyl 2-[2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 3826746
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 55783007
ethyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2163918
ethyl 5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiadiazole-4-carboxylate
CID 55671121
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 32978171
N-(2,5-dichlorophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585773
methyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate
CID 24659325
ethyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 166335978

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 16557369) is ethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)nc1C.
What is the InChIKey of ethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is MRWWDSBGYQOSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S2/c1-3-25-17(24)15-10(2)20-18(27-15)22-14(23)8-13-9-26-16(21-13)11-4-6-12(19)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,20,22,23).
What are the key properties of ethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 421.93 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 16557369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).