ethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate

C14H15N3O3S — CID 103381303

IUPACethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1NC1COc2ccccc21
InChIInChI=1S/C14H15N3O3S/c1-2-19-14(18)11-12(15)17-21-13(11)16-9-7-20-10-6-4-3-5-8(9)10/h3-6,9,16H,2,7H2,1H3,(H2,15,17)
InChIKeyLABCUJDNZYXALN-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.45
Rot. Bonds4

About ethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate

ethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate (PubChem CID 103381303) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is ethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate
PubChem CID103381303
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Nameethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1NC1COc2ccccc21
InChIInChI=1S/C14H15N3O3S/c1-2-19-14(18)11-12(15)17-21-13(11)16-9-7-20-10-6-4-3-5-8(9)10/h3-6,9,16H,2,7H2,1H3,(H2,15,17)
InChIKeyLABCUJDNZYXALN-UHFFFAOYSA-N
XLogP2.45
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate
CID 103379207
methyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate
CID 103379935
ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate
CID 14171364
ethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate
CID 103383522
5-(2,3-dihydro-1-benzofuran-3-ylamino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375468
ethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate
CID 103384165
methyl 2-(2,3-dihydro-1-benzofuran-3-ylamino)butanoate
CID 113292622
ethyl 2-amino-4-(3,4-dihydro-2H-chromen-3-yl)thiophene-3-carboxylate
CID 139391406
ethyl (1aR,7bS)-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxylate
CID 67048066
ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate
CID 103383769
ethyl 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carboxylate
CID 103384598
ethyl 2-amino-4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]thiophene-3-carboxylate
CID 788351

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate (CID 103381303) is ethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1NC1COc2ccccc21.
What is the InChIKey of ethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is LABCUJDNZYXALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-2-19-14(18)11-12(15)17-21-13(11)16-9-7-20-10-6-4-3-5-8(9)10/h3-6,9,16H,2,7H2,1H3,(H2,15,17).
What are the key properties of ethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103381303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).