methyl 3-(2,6-dichlorophenyl)-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate

C18H14Cl2N4O4S — CID 108800550

IUPACmethyl 3-(2,6-dichlorophenyl)-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2c(Cl)cccc2Cl)noc1NC(=O)CC1=CSC2=NCCN12
InChIInChI=1S/C18H14Cl2N4O4S/c1-27-17(26)14-15(13-10(19)3-2-4-11(13)20)23-28-16(14)22-12(25)7-9-8-29-18-21-5-6-24(9)18/h2-4,8H,5-7H2,1H3,(H,22,25)
InChIKeyNAZMKSZYPIHUCB-UHFFFAOYSA-N
MW453.31 g/mol
LogP4.02
Rot. Bonds5

About methyl 3-(2,6-dichlorophenyl)-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate

methyl 3-(2,6-dichlorophenyl)-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate (PubChem CID 108800550) has the molecular formula C18H14Cl2N4O4S and a molecular weight of 453.31 g/mol. Its IUPAC name is methyl 3-(2,6-dichlorophenyl)-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,6-dichlorophenyl)-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate
PubChem CID108800550
Molecular FormulaC18H14Cl2N4O4S
Molecular Weight453.31 g/mol
Exact Mass452.01
IUPAC Namemethyl 3-(2,6-dichlorophenyl)-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(-c2c(Cl)cccc2Cl)noc1NC(=O)CC1=CSC2=NCCN12
InChIInChI=1S/C18H14Cl2N4O4S/c1-27-17(26)14-15(13-10(19)3-2-4-11(13)20)23-28-16(14)22-12(25)7-9-8-29-18-21-5-6-24(9)18/h2-4,8H,5-7H2,1H3,(H,22,25)
InChIKeyNAZMKSZYPIHUCB-UHFFFAOYSA-N
XLogP4.02
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-(2,6-dichlorophenyl)-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate with MolForge

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Related Compounds

methyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate
CID 108800479
methyl 3-(2,6-dichlorophenyl)-5-[4-(2,6-dimethylphenoxy)butanoylamino]-1,2-oxazole-4-carboxylate
CID 108768600
N-(5-acetyl-2-chlorophenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108800556
methyl 3-(2,6-dichlorophenyl)-5-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate
CID 108746344
methyl 3-(2,6-dichlorophenyl)-5-(ethylcarbamothioylamino)-1,2-oxazole-4-carboxylate
CID 108783853
ethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate
CID 108787488
methyl 3-(2,6-dichlorophenyl)-5-[(3-methoxycarbonylbenzoyl)amino]-1,2-oxazole-4-carboxylate
CID 108746352
ethyl 4-carbamoyl-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylfuran-3-carboxylate
CID 108810090
methyl 5-(cyclohexylcarbamoylamino)-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylate
CID 108783849
dimethyl 3-(2,6-dichlorophenyl)-1,2-oxazole-4,5-dicarboxylate
CID 2726491
methyl 3-(2,6-dichlorophenyl)-5-[[2-(4-nitrophenoxy)acetyl]amino]-1,2-oxazole-4-carboxylate
CID 108746345
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 108787628

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,6-dichlorophenyl)-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 3-(2,6-dichlorophenyl)-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate (CID 108800550) is methyl 3-(2,6-dichlorophenyl)-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-(2,6-dichlorophenyl)-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-(2,6-dichlorophenyl)-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate is COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1NC(=O)CC1=CSC2=NCCN12.
What is the InChIKey of methyl 3-(2,6-dichlorophenyl)-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate?
The InChIKey is NAZMKSZYPIHUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O4S/c1-27-17(26)14-15(13-10(19)3-2-4-11(13)20)23-28-16(14)22-12(25)7-9-8-29-18-21-5-6-24(9)18/h2-4,8H,5-7H2,1H3,(H,22,25).
What are the key properties of methyl 3-(2,6-dichlorophenyl)-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate?
methyl 3-(2,6-dichlorophenyl)-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate has a molecular weight of 453.31 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,6-dichlorophenyl)-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 108800550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).