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

C12H15N5O3S2 — CID 6466116

IUPACethyl 5-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)CSc1nnnn1C
InChIInChI=1S/C12H15N5O3S2/c1-4-20-11(19)8-5-7(2)22-10(8)13-9(18)6-21-12-14-15-16-17(12)3/h5H,4,6H2,1-3H3,(H,13,18)
InChIKeyUUPPQCSWLXXXJH-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.49
Rot. Bonds6

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

ethyl 5-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate (PubChem CID 6466116) has the molecular formula C12H15N5O3S2 and a molecular weight of 341.42 g/mol. Its IUPAC name is ethyl 5-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
PubChem CID6466116
Molecular FormulaC12H15N5O3S2
Molecular Weight341.42 g/mol
Exact Mass341.06
IUPAC Nameethyl 5-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)CSc1nnnn1C
InChIInChI=1S/C12H15N5O3S2/c1-4-20-11(19)8-5-7(2)22-10(8)13-9(18)6-21-12-14-15-16-17(12)3/h5H,4,6H2,1-3H3,(H,13,18)
InChIKeyUUPPQCSWLXXXJH-UHFFFAOYSA-N
XLogP1.49
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate (CID 6466116) is ethyl 5-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NC(=O)CSc1nnnn1C.
What is the InChIKey of ethyl 5-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate?
The InChIKey is UUPPQCSWLXXXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S2/c1-4-20-11(19)8-5-7(2)22-10(8)13-9(18)6-21-12-14-15-16-17(12)3/h5H,4,6H2,1-3H3,(H,13,18).
What are the key properties of ethyl 5-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate?
ethyl 5-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate has a molecular weight of 341.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 6466116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).