2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole

C7H9N3OS2 — CID 110656414

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CSC2=NCCS2)o1
InChIInChI=1S/C7H9N3OS2/c1-5-9-10-6(11-5)4-13-7-8-2-3-12-7/h2-4H2,1H3
InChIKeyQNPGTPLHXWMAFW-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.71
Rot. Bonds2

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole (PubChem CID 110656414) has the molecular formula C7H9N3OS2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole
PubChem CID110656414
Molecular FormulaC7H9N3OS2
Molecular Weight215.30 g/mol
Exact Mass215.02
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CSC2=NCCS2)o1
InChIInChI=1S/C7H9N3OS2/c1-5-9-10-6(11-5)4-13-7-8-2-3-12-7/h2-4H2,1H3
InChIKeyQNPGTPLHXWMAFW-UHFFFAOYSA-N
XLogP1.71
TPSA51.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-methyl-1,3,4-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

2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 130694723
2-methyl-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 110656410
2-methyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 8707895
2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110656638
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole
CID 78759890
2-[(3,4-difluorophenyl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 78814718
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-2-amine
CID 43302148
(3R)-3-[[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]thiolane 1,1-dioxide
CID 9379393
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-amine
CID 66220356
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]furan-2-carboxylic acid
CID 63942166
3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate
CID 2461594
2-(cyclopentylmethyl)-5-methyl-1,3,4-oxadiazole
CID 53017482

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole (CID 110656414) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(CSC2=NCCS2)o1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is QNPGTPLHXWMAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS2/c1-5-9-10-6(11-5)4-13-7-8-2-3-12-7/h2-4H2,1H3.
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 215.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 110656414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).