2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

C14H13N3OS — CID 71563462

IUPAC2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(-c2sc(-c3ccccc3)nc2C)o1
InChIInChI=1S/C14H13N3OS/c1-3-11-16-17-13(18-11)12-9(2)15-14(19-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyXRTDPSCVYATWQO-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.73
Rot. Bonds3

About 2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 71563462) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID71563462
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCCc1nnc(-c2sc(-c3ccccc3)nc2C)o1
InChIInChI=1S/C14H13N3OS/c1-3-11-16-17-13(18-11)12-9(2)15-14(19-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyXRTDPSCVYATWQO-UHFFFAOYSA-N
XLogP3.73
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 139229606
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 127050732
ethyl 5-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-oxazole-4-carboxylate
CID 134942874
4-methyl-5-(2-methylpyrazol-3-yl)-2-phenyl-1,3-thiazole
CID 2768051
4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline
CID 58200398
4-ethyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 1478768
4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 1480004
5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 11566479
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole
CID 139226873

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 71563462) is 2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is CCc1nnc(-c2sc(-c3ccccc3)nc2C)o1.
What is the InChIKey of 2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is XRTDPSCVYATWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-3-11-16-17-13(18-11)12-9(2)15-14(19-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 271.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 71563462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).