ethyl 2-[2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C22H23N3O4S — CID 56562842

IUPACethyl 2-[2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccoc2CN2c3ccccc3CC2C)n1
InChIInChI=1S/C22H23N3O4S/c1-3-28-20(26)11-16-13-30-22(23-16)24-21(27)17-8-9-29-19(17)12-25-14(2)10-15-6-4-5-7-18(15)25/h4-9,13-14H,3,10-12H2,1-2H3,(H,23,24,27)
InChIKeyCKNLMTCCZWCGNF-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.05
Rot. Bonds7

About ethyl 2-[2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 56562842) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID56562842
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Nameethyl 2-[2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccoc2CN2c3ccccc3CC2C)n1
InChIInChI=1S/C22H23N3O4S/c1-3-28-20(26)11-16-13-30-22(23-16)24-21(27)17-8-9-29-19(17)12-25-14(2)10-15-6-4-5-7-18(15)25/h4-9,13-14H,3,10-12H2,1-2H3,(H,23,24,27)
InChIKeyCKNLMTCCZWCGNF-UHFFFAOYSA-N
XLogP4.05
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 56564169
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide
CID 56562435
N-(3-aminobutyl)-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 119496457
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
methyl 3-[[2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-3-carbonyl]amino]propanoate
CID 95274797
(2R)-2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]propanoic acid
CID 119369916
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
(2-amino-2-oxoethyl) 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxylate
CID 56788723
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 56564897
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)furan-3-carboxamide
CID 56560494
N-[2-(methylamino)propyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
CID 120830812
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[(2-propoxy-3-pyridinyl)methyl]furan-3-carboxamide
CID 56566691

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 56562842) is ethyl 2-[2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccoc2CN2c3ccccc3CC2C)n1.
What is the InChIKey of ethyl 2-[2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is CKNLMTCCZWCGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-3-28-20(26)11-16-13-30-22(23-16)24-21(27)17-8-9-29-19(17)12-25-14(2)10-15-6-4-5-7-18(15)25/h4-9,13-14H,3,10-12H2,1-2H3,(H,23,24,27).
What are the key properties of ethyl 2-[2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 425.51 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 56562842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).