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

C14H11N5OS3 — CID 10067157

IUPAC3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCn1c(SCc2noc(-c3cccs3)n2)nnc1-c1cccs1
InChIInChI=1S/C14H11N5OS3/c1-19-12(9-4-2-6-21-9)16-17-14(19)23-8-11-15-13(20-18-11)10-5-3-7-22-10/h2-7H,8H2,1H3
InChIKeyMJANABQYSNCKOD-UHFFFAOYSA-N
MW361.48 g/mol
LogP3.95
Rot. Bonds5

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

3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 10067157) has the molecular formula C14H11N5OS3 and a molecular weight of 361.48 g/mol. Its IUPAC name is 3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID10067157
Molecular FormulaC14H11N5OS3
Molecular Weight361.48 g/mol
Exact Mass361.01
IUPAC Name3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCn1c(SCc2noc(-c3cccs3)n2)nnc1-c1cccs1
InChIInChI=1S/C14H11N5OS3/c1-19-12(9-4-2-6-21-9)16-17-14(19)23-8-11-15-13(20-18-11)10-5-3-7-22-10/h2-7H,8H2,1H3
InChIKeyMJANABQYSNCKOD-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

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Related Compounds

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
1-[3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-[3-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethane-1,2-diol
CID 67070934
3-tert-butyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 37326413
3-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 46644933
5-phenyl-3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 78827208
3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 78827118
3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 67070761
3-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 37326560
3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 38855045
3-(4-chlorophenyl)-5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 1007733
5-[1-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 46567766
2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 1375449

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole (CID 10067157) is 3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole is Cn1c(SCc2noc(-c3cccs3)n2)nnc1-c1cccs1.
What is the InChIKey of 3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is MJANABQYSNCKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS3/c1-19-12(9-4-2-6-21-9)16-17-14(19)23-8-11-15-13(20-18-11)10-5-3-7-22-10/h2-7H,8H2,1H3.
What are the key properties of 3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-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-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 10067157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).