2-[(3-phenylmethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole

C16H14N2OS2 — CID 60604161

IUPAC2-[(3-phenylmethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole
SMILESc1ccc(COc2cccc(CSc3nncs3)c2)cc1
InChIInChI=1S/C16H14N2OS2/c1-2-5-13(6-3-1)10-19-15-8-4-7-14(9-15)11-20-16-18-17-12-21-16/h1-9,12H,10-11H2
InChIKeyGQOCHWQDHBSLLK-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.41
Rot. Bonds6

About 2-[(3-phenylmethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole

2-[(3-phenylmethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole (PubChem CID 60604161) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2-[(3-phenylmethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(3-phenylmethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole
PubChem CID60604161
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC Name2-[(3-phenylmethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole
SMILESc1ccc(COc2cccc(CSc3nncs3)c2)cc1
InChIInChI=1S/C16H14N2OS2/c1-2-5-13(6-3-1)10-19-15-8-4-7-14(9-15)11-20-16-18-17-12-21-16/h1-9,12H,10-11H2
InChIKeyGQOCHWQDHBSLLK-UHFFFAOYSA-N
XLogP4.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3-phenylmethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4799847
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-phenylmethoxy-3-propylbenzene
CID 58977798
CID 57452903
CID 57452903
4-(3-methoxypropyl)-3-[(3-phenylmethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 60604227
5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 47066323
CID 57238609
CID 57238609
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-pyridinyl]pyridine
CID 102467208
1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene
CID 167488738
4-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carboxylic acid
CID 82225632

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylmethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[(3-phenylmethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole (CID 60604161) is 2-[(3-phenylmethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(3-phenylmethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[(3-phenylmethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole is c1ccc(COc2cccc(CSc3nncs3)c2)cc1.
What is the InChIKey of 2-[(3-phenylmethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole?
The InChIKey is GQOCHWQDHBSLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-2-5-13(6-3-1)10-19-15-8-4-7-14(9-15)11-20-16-18-17-12-21-16/h1-9,12H,10-11H2.
What are the key properties of 2-[(3-phenylmethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole?
2-[(3-phenylmethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole has a molecular weight of 314.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenylmethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 60604161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).