ethyl 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]thiophene-3-carboxylate

C16H14BrN5O3S — CID 36610131

IUPACethyl 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C16H14BrN5O3S/c1-2-25-16(24)12-7-8-26-15(12)18-13(23)9-22-20-14(19-21-22)10-3-5-11(17)6-4-10/h3-8H,2,9H2,1H3,(H,18,23)
InChIKeyMXMKIXOABMVULZ-UHFFFAOYSA-N
MW436.29 g/mol
LogP2.98
Rot. Bonds6

About ethyl 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]thiophene-3-carboxylate

ethyl 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]thiophene-3-carboxylate (PubChem CID 36610131) has the molecular formula C16H14BrN5O3S and a molecular weight of 436.29 g/mol. Its IUPAC name is ethyl 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]thiophene-3-carboxylate
PubChem CID36610131
Molecular FormulaC16H14BrN5O3S
Molecular Weight436.29 g/mol
Exact Mass435.00
IUPAC Nameethyl 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C16H14BrN5O3S/c1-2-25-16(24)12-7-8-26-15(12)18-13(23)9-22-20-14(19-21-22)10-3-5-11(17)6-4-10/h3-8H,2,9H2,1H3,(H,18,23)
InChIKeyMXMKIXOABMVULZ-UHFFFAOYSA-N
XLogP2.98
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]thiophene-3-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 N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate
CID 7490370
ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate
CID 7713038
N-(3-cyanothiophen-2-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 27278327
ethyl 4-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate
CID 1266768
ethyl 2-(3-bromopropanoylamino)thiophene-3-carboxylate
CID 115571598
ethyl 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 61118419
2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide
CID 36982859
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 7589146
ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate
CID 60703501
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 7589128
methyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-3-carboxylate
CID 7634137
ethyl 2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 55312007

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]thiophene-3-carboxylate (CID 36610131) is ethyl 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1.
What is the InChIKey of ethyl 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is MXMKIXOABMVULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O3S/c1-2-25-16(24)12-7-8-26-15(12)18-13(23)9-22-20-14(19-21-22)10-3-5-11(17)6-4-10/h3-8H,2,9H2,1H3,(H,18,23).
What are the key properties of ethyl 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]thiophene-3-carboxylate?
ethyl 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 436.29 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 36610131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).