2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole

C7H5ClN2OS — CID 114770890

IUPAC2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(Cl)o2)s1
InChIInChI=1S/C7H5ClN2OS/c1-4-2-3-5(12-4)6-9-10-7(8)11-6/h2-3H,1H3
InChIKeyBPFRSENOHRDMDX-UHFFFAOYSA-N
MW200.65 g/mol
LogP2.76
Rot. Bonds1

About 2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole

2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole (PubChem CID 114770890) has the molecular formula C7H5ClN2OS and a molecular weight of 200.65 g/mol. Its IUPAC name is 2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
PubChem CID114770890
Molecular FormulaC7H5ClN2OS
Molecular Weight200.65 g/mol
Exact Mass199.98
IUPAC Name2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(Cl)o2)s1
InChIInChI=1S/C7H5ClN2OS/c1-4-2-3-5(12-4)6-9-10-7(8)11-6/h2-3H,1H3
InChIKeyBPFRSENOHRDMDX-UHFFFAOYSA-N
XLogP2.76
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.65
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 130778751
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
5-bromo-2-(5-methylthiophen-2-yl)-1,3-oxazole
CID 117258871
2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole
CID 114770814
2-(4-chlorothiophen-2-yl)-5-methylthiophene
CID 58778168
2-(4-chlorophenyl)-5-methylthiophene
CID 13356220
5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 66009904
2-chloro-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 114771038
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014682
2-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62275958
2-(5-methylthiophen-2-yl)-1,3-oxazole-5-carbaldehyde
CID 115086456
3-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62277864

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole (CID 114770890) is 2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(Cl)o2)s1.
What is the InChIKey of 2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole?
The InChIKey is BPFRSENOHRDMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2OS/c1-4-2-3-5(12-4)6-9-10-7(8)11-6/h2-3H,1H3.
What are the key properties of 2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole?
2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole has a molecular weight of 200.65 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 114770890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).