ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]acetate

C18H18N4O3S — CID 165146803

IUPACethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2cnc(NC3Cc4ccccc4C3)s2)no1
InChIInChI=1S/C18H18N4O3S/c1-2-24-16(23)9-15-21-17(22-25-15)14-10-19-18(26-14)20-13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13H,2,7-9H2,1H3,(H,19,20)
InChIKeyCUYUTLLPXVOUKO-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.88
Rot. Bonds6

About ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]acetate

ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]acetate (PubChem CID 165146803) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]acetate
PubChem CID165146803
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Nameethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2cnc(NC3Cc4ccccc4C3)s2)no1
InChIInChI=1S/C18H18N4O3S/c1-2-24-16(23)9-15-21-17(22-25-15)14-10-19-18(26-14)20-13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13H,2,7-9H2,1H3,(H,19,20)
InChIKeyCUYUTLLPXVOUKO-UHFFFAOYSA-N
XLogP2.88
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 165146786
ethyl 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79481902
ethyl 2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475467
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474663
ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474427
ethyl 2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 82895462
ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate
CID 171725944
methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 107856348
ethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474342
ethyl 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 116744216
ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79004032
ethyl 2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474664

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]acetate (CID 165146803) is ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]acetate is CCOC(=O)Cc1nc(-c2cnc(NC3Cc4ccccc4C3)s2)no1.
What is the InChIKey of ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]acetate?
The InChIKey is CUYUTLLPXVOUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-2-24-16(23)9-15-21-17(22-25-15)14-10-19-18(26-14)20-13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13H,2,7-9H2,1H3,(H,19,20).
What are the key properties of ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]acetate?
ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]acetate has a molecular weight of 370.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[2-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]acetate is sourced from PubChem (CID 165146803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).