5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole

C17H16F2N4OS — CID 24604160

IUPAC5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2SCc2ccccc2OC(F)F)cc1C
InChIInChI=1S/C17H16F2N4OS/c1-11-7-8-14(9-12(11)2)23-17(20-21-22-23)25-10-13-5-3-4-6-15(13)24-16(18)19/h3-9,16H,10H2,1-2H3
InChIKeyDUPLHSGEPSHQFG-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.17
Rot. Bonds6

About 5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole

5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole (PubChem CID 24604160) has the molecular formula C17H16F2N4OS and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole.

Molecular Properties

Compound Name5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole
PubChem CID24604160
Molecular FormulaC17H16F2N4OS
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2SCc2ccccc2OC(F)F)cc1C
InChIInChI=1S/C17H16F2N4OS/c1-11-7-8-14(9-12(11)2)23-17(20-21-22-23)25-10-13-5-3-4-6-15(13)24-16(18)19/h3-9,16H,10H2,1-2H3
InChIKeyDUPLHSGEPSHQFG-UHFFFAOYSA-N
XLogP4.17
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647181
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole
CID 17413738
1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole
CID 18231138
1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole
CID 84888464
1-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzo[f]chromen-3-one
CID 7661528
3-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine
CID 24604209
4-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 110931391
4-[5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 18141802
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7534488
1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole
CID 7878057
5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 18192562

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole?
The IUPAC name of 5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole (CID 24604160) is 5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole.
What is the SMILES notation for 5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole?
The canonical SMILES for 5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole is Cc1ccc(-n2nnnc2SCc2ccccc2OC(F)F)cc1C.
What is the InChIKey of 5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole?
The InChIKey is DUPLHSGEPSHQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4OS/c1-11-7-8-14(9-12(11)2)23-17(20-21-22-23)25-10-13-5-3-4-6-15(13)24-16(18)19/h3-9,16H,10H2,1-2H3.
What are the key properties of 5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole?
5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole has a molecular weight of 362.41 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole is sourced from PubChem (CID 24604160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).