ethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C18H20N2O3S — CID 86955302

IUPACethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CC2CCc3ccccc32)nc1C
InChIInChI=1S/C18H20N2O3S/c1-3-23-17(22)16-11(2)19-18(24-16)20-15(21)10-13-9-8-12-6-4-5-7-14(12)13/h4-7,13H,3,8-10H2,1-2H3,(H,19,20,21)
InChIKeyAWQAYSMGDXYZLG-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.69
Rot. Bonds5

About ethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 86955302) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is ethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID86955302
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Nameethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CC2CCc3ccccc32)nc1C
InChIInChI=1S/C18H20N2O3S/c1-3-23-17(22)16-11(2)19-18(24-16)20-15(21)10-13-9-8-12-6-4-5-7-14(12)13/h4-7,13H,3,8-10H2,1-2H3,(H,19,20,21)
InChIKeyAWQAYSMGDXYZLG-UHFFFAOYSA-N
XLogP3.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

ethyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 2072961
ethyl 2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 868821
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 47017094
methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate
CID 86955196
ethyl 4-methyl-2-(phenylmethoxycarbonylamino)-1,3-thiazole-5-carboxylate
CID 53419430
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87543958
ethyl 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266806
ethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 6615144
N-(1H-benzimidazol-2-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955198
ethyl 4-methyl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate
CID 39773535

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 86955302) is ethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)CC2CCc3ccccc32)nc1C.
What is the InChIKey of ethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is AWQAYSMGDXYZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-3-23-17(22)16-11(2)19-18(24-16)20-15(21)10-13-9-8-12-6-4-5-7-14(12)13/h4-7,13H,3,8-10H2,1-2H3,(H,19,20,21).
What are the key properties of ethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 344.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 86955302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).