methyl 3-[[2-(5-methyltetrazol-1-yl)acetyl]amino]thiophene-2-carboxylate

C10H11N5O3S — CID 122146886

IUPACmethyl 3-[[2-(5-methyltetrazol-1-yl)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cn1nnnc1C
InChIInChI=1S/C10H11N5O3S/c1-6-12-13-14-15(6)5-8(16)11-7-3-4-19-9(7)10(17)18-2/h3-4H,5H2,1-2H3,(H,11,16)
InChIKeyKYQSIOWHTXHYBG-UHFFFAOYSA-N
MW281.30 g/mol
LogP0.47
Rot. Bonds4

About methyl 3-[[2-(5-methyltetrazol-1-yl)acetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-(5-methyltetrazol-1-yl)acetyl]amino]thiophene-2-carboxylate (PubChem CID 122146886) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is methyl 3-[[2-(5-methyltetrazol-1-yl)acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(5-methyltetrazol-1-yl)acetyl]amino]thiophene-2-carboxylate
PubChem CID122146886
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Namemethyl 3-[[2-(5-methyltetrazol-1-yl)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cn1nnnc1C
InChIInChI=1S/C10H11N5O3S/c1-6-12-13-14-15(6)5-8(16)11-7-3-4-19-9(7)10(17)18-2/h3-4H,5H2,1-2H3,(H,11,16)
InChIKeyKYQSIOWHTXHYBG-UHFFFAOYSA-N
XLogP0.47
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 3-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 34000551
methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate
CID 26705042
methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate
CID 110499554
methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate
CID 60703502
methyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 55173040
methyl 3-(3-bromopropanoylamino)thiophene-2-carboxylate
CID 69190095
methyl 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 43556558
methyl 3-(3-methylpentanoylamino)thiophene-2-carboxylate
CID 114875732
methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate
CID 43623574
methyl 3-[[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate
CID 103706057
methyl 3-[(2-butylsulfanylacetyl)amino]thiophene-2-carboxylate
CID 43409254
methyl 3-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]amino]thiophene-2-carboxylate
CID 113244571

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(5-methyltetrazol-1-yl)acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(5-methyltetrazol-1-yl)acetyl]amino]thiophene-2-carboxylate (CID 122146886) is methyl 3-[[2-(5-methyltetrazol-1-yl)acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(5-methyltetrazol-1-yl)acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(5-methyltetrazol-1-yl)acetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Cn1nnnc1C.
What is the InChIKey of methyl 3-[[2-(5-methyltetrazol-1-yl)acetyl]amino]thiophene-2-carboxylate?
The InChIKey is KYQSIOWHTXHYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-6-12-13-14-15(6)5-8(16)11-7-3-4-19-9(7)10(17)18-2/h3-4H,5H2,1-2H3,(H,11,16).
What are the key properties of methyl 3-[[2-(5-methyltetrazol-1-yl)acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(5-methyltetrazol-1-yl)acetyl]amino]thiophene-2-carboxylate has a molecular weight of 281.30 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(5-methyltetrazol-1-yl)acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 122146886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).