2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole

C16H13N5O2S2 — CID 7810373

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1nc(Cc2nnc(SCc3nnc(-c4ccccc4)o3)o2)cs1
InChIInChI=1S/C16H13N5O2S2/c1-10-17-12(8-24-10)7-13-18-21-16(23-13)25-9-14-19-20-15(22-14)11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3
InChIKeyGNNSZEAYBNLVLZ-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.77
Rot. Bonds6

About 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole

2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 7810373) has the molecular formula C16H13N5O2S2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID7810373
Molecular FormulaC16H13N5O2S2
Molecular Weight371.45 g/mol
Exact Mass371.05
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1nc(Cc2nnc(SCc3nnc(-c4ccccc4)o3)o2)cs1
InChIInChI=1S/C16H13N5O2S2/c1-10-17-12(8-24-10)7-13-18-21-16(23-13)25-9-14-19-20-15(22-14)11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3
InChIKeyGNNSZEAYBNLVLZ-UHFFFAOYSA-N
XLogP3.77
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(2,6-dichlorophenyl)methylsulfanyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 7810645
2-[(3-chloro-4-methylquinolin-2-yl)methylsulfanyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 9458917
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 30398927
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 37286339
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 52709513
2-(9H-fluoren-9-ylsulfanyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 7810525
N'-[2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 7810350
N-(cyanomethyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 29432768
N-methyl-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7810425
1-(4-methylphenyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 31801924
2-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 52709512
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 16607109

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole (CID 7810373) is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole is Cc1nc(Cc2nnc(SCc3nnc(-c4ccccc4)o3)o2)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is GNNSZEAYBNLVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S2/c1-10-17-12(8-24-10)7-13-18-21-16(23-13)25-9-14-19-20-15(22-14)11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole?
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 371.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 7810373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).