3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole

C14H11N5OS3 — CID 67070761

IUPAC3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESCn1c(SCc2noc(-c3ccsc3)n2)nnc1-c1ccsc1
InChIInChI=1S/C14H11N5OS3/c1-19-12(9-2-4-21-6-9)16-17-14(19)23-8-11-15-13(20-18-11)10-3-5-22-7-10/h2-7H,8H2,1H3
InChIKeyXJHOPNAINISQFJ-UHFFFAOYSA-N
MW361.48 g/mol
LogP3.95
Rot. Bonds5

About 3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole

3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 67070761) has the molecular formula C14H11N5OS3 and a molecular weight of 361.48 g/mol. Its IUPAC name is 3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID67070761
Molecular FormulaC14H11N5OS3
Molecular Weight361.48 g/mol
Exact Mass361.01
IUPAC Name3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESCn1c(SCc2noc(-c3ccsc3)n2)nnc1-c1ccsc1
InChIInChI=1S/C14H11N5OS3/c1-19-12(9-2-4-21-6-9)16-17-14(19)23-8-11-15-13(20-18-11)10-3-5-22-7-10/h2-7H,8H2,1H3
InChIKeyXJHOPNAINISQFJ-UHFFFAOYSA-N
XLogP3.95
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole 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

3-[4-methyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]thiolane 1,1-dioxide
CID 42943079
5-(3-methylphenyl)-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 10248145
3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 10067157
5-(2-methyl-4-pyridinyl)-3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 10044678
5-(5-bromo-2-fluorophenyl)-3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 67070542
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-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 10387366
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetic acid
CID 43169810
3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrazin-2-amine
CID 106678486
5-tert-butyl-3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 43056599
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
2-tert-butyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,3,4-oxadiazole
CID 75379789

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole (CID 67070761) is 3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole is Cn1c(SCc2noc(-c3ccsc3)n2)nnc1-c1ccsc1.
What is the InChIKey of 3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is XJHOPNAINISQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS3/c1-19-12(9-2-4-21-6-9)16-17-14(19)23-8-11-15-13(20-18-11)10-3-5-22-7-10/h2-7H,8H2,1H3.
What are the key properties of 3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 361.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 67070761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).