4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine

C14H13N3OS — CID 43109078

IUPAC4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
SMILESCc1sc(N)c(-c2nc(-c3ccccc3)no2)c1C
InChIInChI=1S/C14H13N3OS/c1-8-9(2)19-12(15)11(8)14-16-13(17-18-14)10-6-4-3-5-7-10/h3-7H,15H2,1-2H3
InChIKeyNICUPOASFWSNJM-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.66
Rot. Bonds2

About 4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine

4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine (PubChem CID 43109078) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
PubChem CID43109078
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
SMILESCc1sc(N)c(-c2nc(-c3ccccc3)no2)c1C
InChIInChI=1S/C14H13N3OS/c1-8-9(2)19-12(15)11(8)14-16-13(17-18-14)10-6-4-3-5-7-10/h3-7H,15H2,1-2H3
InChIKeyNICUPOASFWSNJM-UHFFFAOYSA-N
XLogP3.66
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 43514782
4,5-dimethyl-3-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63555394
3-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 177466079
2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104826974
3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 43329946
4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 61392883
5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 23010437
4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
CID 63654204
4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65329462
4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 116807514
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 65390159
4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine
CID 82366106

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
The IUPAC name of 4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine (CID 43109078) is 4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine.
What is the SMILES notation for 4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
The canonical SMILES for 4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine is Cc1sc(N)c(-c2nc(-c3ccccc3)no2)c1C.
What is the InChIKey of 4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
The InChIKey is NICUPOASFWSNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-8-9(2)19-12(15)11(8)14-16-13(17-18-14)10-6-4-3-5-7-10/h3-7H,15H2,1-2H3.
What are the key properties of 4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine has a molecular weight of 271.34 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine is sourced from PubChem (CID 43109078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).