1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one

C12H9ClN4O2S — CID 62025284

IUPAC1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one
SMILESCC(C(=O)c1ccc(Cl)s1)n1nnc(-c2ccco2)n1
InChIInChI=1S/C12H9ClN4O2S/c1-7(11(18)9-4-5-10(13)20-9)17-15-12(14-16-17)8-3-2-6-19-8/h2-7H,1H3
InChIKeyIWNVYQCEZCZLJF-UHFFFAOYSA-N
MW308.75 g/mol
LogP3.09
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one

1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one (PubChem CID 62025284) has the molecular formula C12H9ClN4O2S and a molecular weight of 308.75 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one
PubChem CID62025284
Molecular FormulaC12H9ClN4O2S
Molecular Weight308.75 g/mol
Exact Mass308.01
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one
SMILESCC(C(=O)c1ccc(Cl)s1)n1nnc(-c2ccco2)n1
InChIInChI=1S/C12H9ClN4O2S/c1-7(11(18)9-4-5-10(13)20-9)17-15-12(14-16-17)8-3-2-6-19-8/h2-7H,1H3
InChIKeyIWNVYQCEZCZLJF-UHFFFAOYSA-N
XLogP3.09
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one (CID 62025284) is 1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one is CC(C(=O)c1ccc(Cl)s1)n1nnc(-c2ccco2)n1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one?
The InChIKey is IWNVYQCEZCZLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2S/c1-7(11(18)9-4-5-10(13)20-9)17-15-12(14-16-17)8-3-2-6-19-8/h2-7H,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one?
1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one has a molecular weight of 308.75 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one is sourced from PubChem (CID 62025284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).