ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole

C15H16N2OS2 — CID 177007601

IUPACethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole
SMILESCC.COc1ccc(-c2nnc(-c3cccs3)s2)cc1
InChIInChI=1S/C13H10N2OS2.C2H6/c1-16-10-6-4-9(5-7-10)12-14-15-13(18-12)11-3-2-8-17-11;1-2/h2-8H,1H3;1-2H3
InChIKeyFMGJFRMHHAGGKT-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.97
Rot. Bonds3

About ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole

ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole (PubChem CID 177007601) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Nameethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole
PubChem CID177007601
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC Nameethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole
SMILESCC.COc1ccc(-c2nnc(-c3cccs3)s2)cc1
InChIInChI=1S/C13H10N2OS2.C2H6/c1-16-10-6-4-9(5-7-10)12-14-15-13(18-12)11-3-2-8-17-11;1-2/h2-8H,1H3;1-2H3
InChIKeyFMGJFRMHHAGGKT-UHFFFAOYSA-N
XLogP4.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(4-methoxyphenyl)-4-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)aniline
CID 102288216
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene
CID 25194683
3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole
CID 18175413
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
5-methoxy-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 116887500
furan-2-yl-[2-(4-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]methanone
CID 102583273
3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzonitrile
CID 167877413
5-(4-methoxyphenyl)-4-thiophen-2-yl-2H-triazol-1-ium
CID 173012809
4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine
CID 13191008
2-benzylsulfanyl-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 562782
2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole
CID 14091186

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole?
The IUPAC name of ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole (CID 177007601) is ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole?
The canonical SMILES for ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole is CC.COc1ccc(-c2nnc(-c3cccs3)s2)cc1.
What is the InChIKey of ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole?
The InChIKey is FMGJFRMHHAGGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2.C2H6/c1-16-10-6-4-9(5-7-10)12-14-15-13(18-12)11-3-2-8-17-11;1-2/h2-8H,1H3;1-2H3.
What are the key properties of ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole?
ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole has a molecular weight of 304.44 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 177007601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).