ethyl 2-[2-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate

C19H20N2O4S — CID 60578656

IUPACethyl 2-[2-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2oc3c(C)ccc(C)c3c2C)n1
InChIInChI=1S/C19H20N2O4S/c1-5-24-14(22)8-13-9-26-19(20-13)21-18(23)17-12(4)15-10(2)6-7-11(3)16(15)25-17/h6-7,9H,5,8H2,1-4H3,(H,20,21,23)
InChIKeyRYMDGTRMNDFNLA-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.17
Rot. Bonds5

About ethyl 2-[2-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 60578656) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is ethyl 2-[2-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID60578656
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Nameethyl 2-[2-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2oc3c(C)ccc(C)c3c2C)n1
InChIInChI=1S/C19H20N2O4S/c1-5-24-14(22)8-13-9-26-19(20-13)21-18(23)17-12(4)15-10(2)6-7-11(3)16(15)25-17/h6-7,9H,5,8H2,1-4H3,(H,20,21,23)
InChIKeyRYMDGTRMNDFNLA-UHFFFAOYSA-N
XLogP4.17
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 66335727
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 17309220
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-[(4-propan-2-ylsulfanylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 55821879
ethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 16906877
ethyl 2-[2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 21046463
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
ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate
CID 43622982
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 60578656) is ethyl 2-[2-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2oc3c(C)ccc(C)c3c2C)n1.
What is the InChIKey of ethyl 2-[2-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is RYMDGTRMNDFNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-5-24-14(22)8-13-9-26-19(20-13)21-18(23)17-12(4)15-10(2)6-7-11(3)16(15)25-17/h6-7,9H,5,8H2,1-4H3,(H,20,21,23).
What are the key properties of ethyl 2-[2-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 372.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 60578656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).