7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine

C18H15N3S — CID 139221952

IUPAC7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine
SMILESCc1ccc(C2=CC(c3ccccc3)N3N=CSC3=N2)cc1
InChIInChI=1S/C18H15N3S/c1-13-7-9-14(10-8-13)16-11-17(15-5-3-2-4-6-15)21-18(20-16)22-12-19-21/h2-12,17H,1H3
InChIKeyDFYKLNFWAAFSRQ-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.44
Rot. Bonds2

About 7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine

7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine (PubChem CID 139221952) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine.

Molecular Properties

Compound Name7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine
PubChem CID139221952
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine
SMILESCc1ccc(C2=CC(c3ccccc3)N3N=CSC3=N2)cc1
InChIInChI=1S/C18H15N3S/c1-13-7-9-14(10-8-13)16-11-17(15-5-3-2-4-6-15)21-18(20-16)22-12-19-21/h2-12,17H,1H3
InChIKeyDFYKLNFWAAFSRQ-UHFFFAOYSA-N
XLogP4.44
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-diphenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-2-sulfonamide
CID 54768361
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine
CID 102126195
5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 4066312
3-tert-butyl-4,6-bis(4-methylphenyl)-4H-triazine
CID 134916077
5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23944728
6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine
CID 134916139
(7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 686429
1-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]-4-methylbenzene
CID 71581361
3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one
CID 609974
3-(4-methylphenyl)-5-[2-(4-methylphenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole
CID 68648729
benzene;bis(1,4-xylene)
CID 159472747
2-(4-methylphenyl)-3-phenyloxirane
CID 602487

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine?
The IUPAC name of 7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine (CID 139221952) is 7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine.
What is the SMILES notation for 7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine?
The canonical SMILES for 7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine is Cc1ccc(C2=CC(c3ccccc3)N3N=CSC3=N2)cc1.
What is the InChIKey of 7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine?
The InChIKey is DFYKLNFWAAFSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-13-7-9-14(10-8-13)16-11-17(15-5-3-2-4-6-15)21-18(20-16)22-12-19-21/h2-12,17H,1H3.
What are the key properties of 7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine?
7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine has a molecular weight of 305.41 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine is sourced from PubChem (CID 139221952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).