2-[(2-chlorophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole

C15H11ClN2S2 — CID 19205052

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole
SMILESClc1ccccc1CSc1nnc(-c2ccccc2)s1
InChIInChI=1S/C15H11ClN2S2/c16-13-9-5-4-8-12(13)10-19-15-18-17-14(20-15)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyJIEXIFOKWYRFOE-UHFFFAOYSA-N
MW318.85 g/mol
LogP5.15
Rot. Bonds4

About 2-[(2-chlorophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole

2-[(2-chlorophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole (PubChem CID 19205052) has the molecular formula C15H11ClN2S2 and a molecular weight of 318.85 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole
PubChem CID19205052
Molecular FormulaC15H11ClN2S2
Molecular Weight318.85 g/mol
Exact Mass318.01
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole
SMILESClc1ccccc1CSc1nnc(-c2ccccc2)s1
InChIInChI=1S/C15H11ClN2S2/c16-13-9-5-4-8-12(13)10-19-15-18-17-14(20-15)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyJIEXIFOKWYRFOE-UHFFFAOYSA-N
XLogP5.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.85
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(3-chlorophenyl)phenyl]methylsulfanyl]-5-phenyl-1,3,4-thiadiazole
CID 175031575
5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 17435424
5-[(2-chlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 41457859
2-[(2,4-dinitrophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole
CID 127045767
2-benzylsulfanyl-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 562782
3-[(2-chlorophenyl)methylsulfanyl]-6-phenyl-1,2,4-triazine
CID 2963013
N-[(2-chlorophenyl)methyl]-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 110826573
3-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid
CID 23007059
4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazine
CID 16858150
1-chloro-2-(2-phenylethyl)benzene
CID 21495838
N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 3736594
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole (CID 19205052) is 2-[(2-chlorophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole is Clc1ccccc1CSc1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole?
The InChIKey is JIEXIFOKWYRFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S2/c16-13-9-5-4-8-12(13)10-19-15-18-17-14(20-15)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole?
2-[(2-chlorophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole has a molecular weight of 318.85 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 19205052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).