methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate

C9H9N5O3S — CID 110499554

IUPACmethyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cc1nn[nH]n1
InChIInChI=1S/C9H9N5O3S/c1-17-9(16)8-5(2-3-18-8)10-7(15)4-6-11-13-14-12-6/h2-3H,4H2,1H3,(H,10,15)(H,11,12,13,14)
InChIKeyKFOSEPGEFVNPQO-UHFFFAOYSA-N
MW267.27 g/mol
LogP0.23
Rot. Bonds4

About methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate (PubChem CID 110499554) has the molecular formula C9H9N5O3S and a molecular weight of 267.27 g/mol. Its IUPAC name is methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate
PubChem CID110499554
Molecular FormulaC9H9N5O3S
Molecular Weight267.27 g/mol
Exact Mass267.04
IUPAC Namemethyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cc1nn[nH]n1
InChIInChI=1S/C9H9N5O3S/c1-17-9(16)8-5(2-3-18-8)10-7(15)4-6-11-13-14-12-6/h2-3H,4H2,1H3,(H,10,15)(H,11,12,13,14)
InChIKeyKFOSEPGEFVNPQO-UHFFFAOYSA-N
XLogP0.23
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-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

methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate
CID 43623574
methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-2-carboxylate
CID 896829
methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]thiophene-2-carboxylate
CID 43408089
methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate
CID 43408027
methyl 3-[[2-(5-methyltetrazol-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 122146886
methyl 3-(3-bromopropanoylamino)thiophene-2-carboxylate
CID 69190095
methyl 3-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetyl]amino]thiophene-2-carboxylate
CID 43137996
methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate
CID 27805316
methyl 3-[(2-cyanoacetyl)amino]thiophene-2-carboxylate
CID 5178717
N-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499452
methyl 3-[(2-isoquinolin-5-ylacetyl)amino]thiophene-2-carboxylate
CID 52949817
methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate (CID 110499554) is methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Cc1nn[nH]n1.
What is the InChIKey of methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate?
The InChIKey is KFOSEPGEFVNPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3S/c1-17-9(16)8-5(2-3-18-8)10-7(15)4-6-11-13-14-12-6/h2-3H,4H2,1H3,(H,10,15)(H,11,12,13,14).
What are the key properties of methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate has a molecular weight of 267.27 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 110499554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).