(7S)-5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C15H10F3N5S — CID 135837033

IUPAC(7S)-5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccc([C@@H]2C=C(c3cccs3)Nc3nnnn32)cc1
InChIInChI=1S/C15H10F3N5S/c16-15(17,18)10-5-3-9(4-6-10)12-8-11(13-2-1-7-24-13)19-14-20-21-22-23(12)14/h1-8,12H,(H,19,20,22)/t12-/m0/s1
InChIKeyHSUJPVWHYSGAHP-LBPRGKRZSA-N
MW349.34 g/mol
LogP3.81
Rot. Bonds2

About (7S)-5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine

(7S)-5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 135837033) has the molecular formula C15H10F3N5S and a molecular weight of 349.34 g/mol. Its IUPAC name is (7S)-5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7S)-5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID135837033
Molecular FormulaC15H10F3N5S
Molecular Weight349.34 g/mol
Exact Mass349.06
IUPAC Name(7S)-5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccc([C@@H]2C=C(c3cccs3)Nc3nnnn32)cc1
InChIInChI=1S/C15H10F3N5S/c16-15(17,18)10-5-3-9(4-6-10)12-8-11(13-2-1-7-24-13)19-14-20-21-22-23(12)14/h1-8,12H,(H,19,20,22)/t12-/m0/s1
InChIKeyHSUJPVWHYSGAHP-LBPRGKRZSA-N
XLogP3.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7S)-5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of (7S)-5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 135837033) is (7S)-5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7S)-5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7S)-5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine is FC(F)(F)c1ccc([C@@H]2C=C(c3cccs3)Nc3nnnn32)cc1.
What is the InChIKey of (7S)-5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is HSUJPVWHYSGAHP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H10F3N5S/c16-15(17,18)10-5-3-9(4-6-10)12-8-11(13-2-1-7-24-13)19-14-20-21-22-23(12)14/h1-8,12H,(H,19,20,22)/t12-/m0/s1.
What are the key properties of (7S)-5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
(7S)-5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 349.34 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-thiophen-2-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135837033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).