ethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate

C12H13N3O3S — CID 1499221

IUPACethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate
SMILES[H]/N=c1\sn(-c2ccccc2OC)nc1C(=O)OCC
InChIInChI=1S/C12H13N3O3S/c1-3-18-12(16)10-11(13)19-15(14-10)8-6-4-5-7-9(8)17-2/h4-7,13H,3H2,1-2H3/b13-11-
InChIKeySHJWHEWGCOJCQS-QBFSEMIESA-N
MW279.32 g/mol
LogP1.60
Rot. Bonds4

About ethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate

ethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate (PubChem CID 1499221) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is ethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate
PubChem CID1499221
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Nameethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate
SMILES[H]/N=c1\sn(-c2ccccc2OC)nc1C(=O)OCC
InChIInChI=1S/C12H13N3O3S/c1-3-18-12(16)10-11(13)19-15(14-10)8-6-4-5-7-9(8)17-2/h4-7,13H,3H2,1-2H3/b13-11-
InChIKeySHJWHEWGCOJCQS-QBFSEMIESA-N
XLogP1.60
TPSA77.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate
CID 139229097
ethyl 5-amino-3-cyclobutyl-1-(2-methoxyphenyl)pyrazole-4-carboxylate
CID 22309705
ethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate
CID 118006121
ethyl 3-[2-(2-methoxyphenyl)ethynyl]quinoxaline-2-carboxylate
CID 134131568
ethyl 5,5-dihydroxy-1-(2-methoxyphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxylate
CID 123654708
ethyl 4-amino-7-ethyl-8-(2-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17190398
ethyl 5-methyl-2-(2-methylphenyl)triazole-4-carboxylate
CID 50873970
ethyl 4-methoxy-3-(1,2,4-triazol-4-yl)benzoate
CID 56737237
ethyl 8-(2-methoxyphenyl)-4-methyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17035686
ethyl (2S,6S,8S,12S)-4,10-bis(2-methoxyphenyl)-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate
CID 124766770
ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
ethyl 2-methyl-4-(2-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylate
CID 118654965

Frequently Asked Questions

What is the IUPAC name of ethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate?
The IUPAC name of ethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate (CID 1499221) is ethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate?
The canonical SMILES for ethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate is [H]/N=c1\sn(-c2ccccc2OC)nc1C(=O)OCC.
What is the InChIKey of ethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate?
The InChIKey is SHJWHEWGCOJCQS-QBFSEMIESA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-3-18-12(16)10-11(13)19-15(14-10)8-6-4-5-7-9(8)17-2/h4-7,13H,3H2,1-2H3/b13-11-.
What are the key properties of ethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate?
ethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate has a molecular weight of 279.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-imino-2-(2-methoxyphenyl)thiadiazole-4-carboxylate is sourced from PubChem (CID 1499221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).