5-(5-bromothiophen-2-yl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C15H10BrF2N5OS — CID 4175174

IUPAC5-(5-bromothiophen-2-yl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccccc1C1C=C(c2ccc(Br)s2)Nc2nnnn21
InChIInChI=1S/C15H10BrF2N5OS/c16-13-6-5-12(25-13)9-7-10(23-15(19-9)20-21-22-23)8-3-1-2-4-11(8)24-14(17)18/h1-7,10,14H,(H,19,20,22)
InChIKeyRXVUEEBHHBSETE-UHFFFAOYSA-N
MW426.25 g/mol
LogP4.15
Rot. Bonds4

About 5-(5-bromothiophen-2-yl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine

5-(5-bromothiophen-2-yl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 4175174) has the molecular formula C15H10BrF2N5OS and a molecular weight of 426.25 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID4175174
Molecular FormulaC15H10BrF2N5OS
Molecular Weight426.25 g/mol
Exact Mass424.98
IUPAC Name5-(5-bromothiophen-2-yl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccccc1C1C=C(c2ccc(Br)s2)Nc2nnnn21
InChIInChI=1S/C15H10BrF2N5OS/c16-13-6-5-12(25-13)9-7-10(23-15(19-9)20-21-22-23)8-3-1-2-4-11(8)24-14(17)18/h1-7,10,14H,(H,19,20,22)
InChIKeyRXVUEEBHHBSETE-UHFFFAOYSA-N
XLogP4.15
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.25
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(5-bromothiophen-2-yl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 4175174) is 5-(5-bromothiophen-2-yl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine is FC(F)Oc1ccccc1C1C=C(c2ccc(Br)s2)Nc2nnnn21.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is RXVUEEBHHBSETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2N5OS/c16-13-6-5-12(25-13)9-7-10(23-15(19-9)20-21-22-23)8-3-1-2-4-11(8)24-14(17)18/h1-7,10,14H,(H,19,20,22).
What are the key properties of 5-(5-bromothiophen-2-yl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(5-bromothiophen-2-yl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 426.25 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4175174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).