2-[(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,3,4-thiadiazole

C18H16N4S2 — CID 11646043

IUPAC2-[(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,3,4-thiadiazole
SMILESCC1(Cc2nnc(-c3ccccc3)s2)NN=C(c2ccccc2)S1
InChIInChI=1S/C18H16N4S2/c1-18(22-21-17(24-18)14-10-6-3-7-11-14)12-15-19-20-16(23-15)13-8-4-2-5-9-13/h2-11,22H,12H2,1H3
InChIKeyWFLZCRSHDJNLLO-UHFFFAOYSA-N
MW352.49 g/mol
LogP4.16
Rot. Bonds4

About 2-[(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,3,4-thiadiazole

2-[(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,3,4-thiadiazole (PubChem CID 11646043) has the molecular formula C18H16N4S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is 2-[(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,3,4-thiadiazole
PubChem CID11646043
Molecular FormulaC18H16N4S2
Molecular Weight352.49 g/mol
Exact Mass352.08
IUPAC Name2-[(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,3,4-thiadiazole
SMILESCC1(Cc2nnc(-c3ccccc3)s2)NN=C(c2ccccc2)S1
InChIInChI=1S/C18H16N4S2/c1-18(22-21-17(24-18)14-10-6-3-7-11-14)12-15-19-20-16(23-15)13-8-4-2-5-9-13/h2-11,22H,12H2,1H3
InChIKeyWFLZCRSHDJNLLO-UHFFFAOYSA-N
XLogP4.16
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
2-Methyl-5-phenyl-1,3,4-thiadiazole
CID 97425
2-[5-(2-Phenylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 13684145
3-(5-(2-Biphenylyl)-1,3,4-thiadiazol-2-yl)propanamine
CID 13684147
4-[5-(4-Carbamimidoylphenyl)-1,3,4-thiadiazol-2-yl]benzenecarboximidamide;dihydrochloride
CID 12637656
1-[5-(2-Phenylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 13684149
1,3,4-Thiadiazole, 2-isopropyl-5-phenyl-
CID 605161
2,5-Bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
5,5'-Diphenyl-2,2'-bi-1,3,4-thiadiazole
CID 57296577
2-Ethyl-5-phenyl-1,3,4-thiadiazole
CID 58884869
2-Butan-2-yl-5-phenyl-1,3,4-thiadiazole
CID 59503100
2-Cyclohexyl-5-phenyl-1,3,4-thiadiazole
CID 134968046

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,3,4-thiadiazole (CID 11646043) is 2-[(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,3,4-thiadiazole is CC1(Cc2nnc(-c3ccccc3)s2)NN=C(c2ccccc2)S1.
What is the InChIKey of 2-[(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,3,4-thiadiazole?
The InChIKey is WFLZCRSHDJNLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S2/c1-18(22-21-17(24-18)14-10-6-3-7-11-14)12-15-19-20-16(23-15)13-8-4-2-5-9-13/h2-11,22H,12H2,1H3.
What are the key properties of 2-[(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,3,4-thiadiazole?
2-[(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,3,4-thiadiazole has a molecular weight of 352.49 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)methyl]-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 11646043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).