4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine

C14H14N4O2S — CID 30029551

IUPAC4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1-c1nc(-c2cccc(OC)c2)no1
InChIInChI=1S/C14H14N4O2S/c1-3-10-11(21-14(15)16-10)13-17-12(18-20-13)8-5-4-6-9(7-8)19-2/h4-7H,3H2,1-2H3,(H2,15,16)
InChIKeyZLDVHSHTZYVJFZ-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.01
Rot. Bonds4

About 4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine

4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 30029551) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID30029551
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1-c1nc(-c2cccc(OC)c2)no1
InChIInChI=1S/C14H14N4O2S/c1-3-10-11(21-14(15)16-10)13-17-12(18-20-13)8-5-4-6-9(7-8)19-2/h4-7H,3H2,1-2H3,(H2,15,16)
InChIKeyZLDVHSHTZYVJFZ-UHFFFAOYSA-N
XLogP3.01
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 23010417
5-ethyl-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63614847
4-bromo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62072815
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706529
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
3-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 65210064
5-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 126779977
3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride
CID 75485647
3-(3-methoxyphenyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole
CID 2983228
2-ethyl-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115430528
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole
CID 99963028

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (CID 30029551) is 4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is CCc1nc(N)sc1-c1nc(-c2cccc(OC)c2)no1.
What is the InChIKey of 4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is ZLDVHSHTZYVJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-3-10-11(21-14(15)16-10)13-17-12(18-20-13)8-5-4-6-9(7-8)19-2/h4-7H,3H2,1-2H3,(H2,15,16).
What are the key properties of 4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 302.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 30029551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).