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

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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).