5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine

C12H11N5OS2 — CID 34801710

IUPAC5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESCc1nc(CSc2nnc(Nc3ccccc3)s2)no1
InChIInChI=1S/C12H11N5OS2/c1-8-13-10(17-18-8)7-19-12-16-15-11(20-12)14-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)
InChIKeyGMERBGKNURRMLF-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.27
Rot. Bonds5

About 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine

5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 34801710) has the molecular formula C12H11N5OS2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID34801710
Molecular FormulaC12H11N5OS2
Molecular Weight305.39 g/mol
Exact Mass305.04
IUPAC Name5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESCc1nc(CSc2nnc(Nc3ccccc3)s2)no1
InChIInChI=1S/C12H11N5OS2/c1-8-13-10(17-18-8)7-19-12-16-15-11(20-12)14-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)
InChIKeyGMERBGKNURRMLF-UHFFFAOYSA-N
XLogP3.27
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 42021243
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 9220434
N-(4-methylphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 8873883
5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 27919031
N-[3-[[5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
CID 55570125
5-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 7999718
N-(4-methoxyphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 7778756
N-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 1301810
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 37095800
N-(4-methoxyphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9221326
N-(3-bromophenyl)-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 24631426
2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 17496145

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine (CID 34801710) is 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine is Cc1nc(CSc2nnc(Nc3ccccc3)s2)no1.
What is the InChIKey of 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is GMERBGKNURRMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS2/c1-8-13-10(17-18-8)7-19-12-16-15-11(20-12)14-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 305.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 34801710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).