5-[[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole

C17H13ClN4OS2 — CID 24578483

IUPAC5-[[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESCc1c(Cl)cccc1-n1ccnc1SCc1nc(-c2ccsc2)no1
InChIInChI=1S/C17H13ClN4OS2/c1-11-13(18)3-2-4-14(11)22-7-6-19-17(22)25-10-15-20-16(21-23-15)12-5-8-24-9-12/h2-9H,10H2,1H3
InChIKeyFMGOAJQZPPIKGM-UHFFFAOYSA-N
MW388.91 g/mol
LogP5.24
Rot. Bonds5

About 5-[[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole

5-[[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 24578483) has the molecular formula C17H13ClN4OS2 and a molecular weight of 388.91 g/mol. Its IUPAC name is 5-[[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID24578483
Molecular FormulaC17H13ClN4OS2
Molecular Weight388.91 g/mol
Exact Mass388.02
IUPAC Name5-[[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESCc1c(Cl)cccc1-n1ccnc1SCc1nc(-c2ccsc2)no1
InChIInChI=1S/C17H13ClN4OS2/c1-11-13(18)3-2-4-14(11)22-7-6-19-17(22)25-10-15-20-16(21-23-15)12-5-8-24-9-12/h2-9H,10H2,1H3
InChIKeyFMGOAJQZPPIKGM-UHFFFAOYSA-N
XLogP5.24
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.91
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 55552695
5-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 8935122
3-methyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 33345743
5-[[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 18291133
3-(4-methoxyphenyl)-5-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 33232773
3-methyl-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 46540725
2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
CID 134010931
5-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 46618209
5-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 27382609
5-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 17445186
5-(quinolin-2-ylsulfanylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 26733074
N-(2,3-dimethylphenyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole (CID 24578483) is 5-[[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole is Cc1c(Cl)cccc1-n1ccnc1SCc1nc(-c2ccsc2)no1.
What is the InChIKey of 5-[[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is FMGOAJQZPPIKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4OS2/c1-11-13(18)3-2-4-14(11)22-7-6-19-17(22)25-10-15-20-16(21-23-15)12-5-8-24-9-12/h2-9H,10H2,1H3.
What are the key properties of 5-[[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole?
5-[[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 388.91 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 24578483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).