ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate

C16H15N3O4S2 — CID 55719198

IUPACethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2nc(-c3cccs3)oc2C)n1
InChIInChI=1S/C16H15N3O4S2/c1-3-22-12(20)7-10-8-25-16(17-10)19-14(21)13-9(2)23-15(18-13)11-5-4-6-24-11/h4-6,8H,3,7H2,1-2H3,(H,17,19,21)
InChIKeyUXFKWEATMHMXRL-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.53
Rot. Bonds6

About ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 55719198) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID55719198
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC Nameethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2nc(-c3cccs3)oc2C)n1
InChIInChI=1S/C16H15N3O4S2/c1-3-22-12(20)7-10-8-25-16(17-10)19-14(21)13-9(2)23-15(18-13)11-5-4-6-24-11/h4-6,8H,3,7H2,1-2H3,(H,17,19,21)
InChIKeyUXFKWEATMHMXRL-UHFFFAOYSA-N
XLogP3.53
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
ethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 16906877
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55755678
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55706690
ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 60620680
ethyl 2-[2-[[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 46492925
N'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
CID 55704486
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 43019001
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 55719198) is ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2nc(-c3cccs3)oc2C)n1.
What is the InChIKey of ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is UXFKWEATMHMXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-3-22-12(20)7-10-8-25-16(17-10)19-14(21)13-9(2)23-15(18-13)11-5-4-6-24-11/h4-6,8H,3,7H2,1-2H3,(H,17,19,21).
What are the key properties of ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 377.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 55719198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).