ethyl 4-tert-butyl-2-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-5-carboxylate

C19H24N2O2S — CID 123173088

IUPACethyl 4-tert-butyl-2-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccc3c(c2)CCC3)nc1C(C)(C)C
InChIInChI=1S/C19H24N2O2S/c1-5-23-17(22)15-16(19(2,3)4)21-18(24-15)20-14-10-9-12-7-6-8-13(12)11-14/h9-11H,5-8H2,1-4H3,(H,20,21)
InChIKeyOMUBQBIEUUCOJF-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.85
Rot. Bonds4

About ethyl 4-tert-butyl-2-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-5-carboxylate

ethyl 4-tert-butyl-2-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-5-carboxylate (PubChem CID 123173088) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is ethyl 4-tert-butyl-2-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-tert-butyl-2-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-5-carboxylate
PubChem CID123173088
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Nameethyl 4-tert-butyl-2-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccc3c(c2)CCC3)nc1C(C)(C)C
InChIInChI=1S/C19H24N2O2S/c1-5-23-17(22)15-16(19(2,3)4)21-18(24-15)20-14-10-9-12-7-6-8-13(12)11-14/h9-11H,5-8H2,1-4H3,(H,20,21)
InChIKeyOMUBQBIEUUCOJF-UHFFFAOYSA-N
XLogP4.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-tert-butyl-2-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
N-(2,3-dihydro-1H-inden-5-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 47140342
ethyl 2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 25107424
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535641
ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate
CID 79040702
ethyl 2-[4-chloro-3-(trifluoromethyl)anilino]-4-(cyclopropanecarbonylamino)-1,3-thiazole-5-carboxylate
CID 118732501
ethyl 5-formyl-3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 82036074
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604888
2-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylpropanamide;hydrochloride
CID 120586675
ethyl 2-(2,2-dimethylpropanoylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84560961
ethyl 5-acetyl-2-(3-bromoanilino)-1,3-thiazole-4-carboxylate
CID 107377026
[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 8578547

Frequently Asked Questions

What is the IUPAC name of ethyl 4-tert-butyl-2-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-tert-butyl-2-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-5-carboxylate (CID 123173088) is ethyl 4-tert-butyl-2-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-tert-butyl-2-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-tert-butyl-2-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Nc2ccc3c(c2)CCC3)nc1C(C)(C)C.
What is the InChIKey of ethyl 4-tert-butyl-2-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is OMUBQBIEUUCOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-5-23-17(22)15-16(19(2,3)4)21-18(24-15)20-14-10-9-12-7-6-8-13(12)11-14/h9-11H,5-8H2,1-4H3,(H,20,21).
What are the key properties of ethyl 4-tert-butyl-2-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-5-carboxylate?
ethyl 4-tert-butyl-2-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 344.48 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-tert-butyl-2-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 123173088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).