6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine

C14H16N4O2S — CID 116740303

IUPAC6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
SMILESCCC(C)(OC)c1noc(-c2ccc3nc(N)sc3c2)n1
InChIInChI=1S/C14H16N4O2S/c1-4-14(2,19-3)12-17-11(20-18-12)8-5-6-9-10(7-8)21-13(15)16-9/h5-7H,4H2,1-3H3,(H2,15,16)
InChIKeyKSEBJCGWEADFQT-UHFFFAOYSA-N
MW304.38 g/mol
LogP3.20
Rot. Bonds4

About 6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine

6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine (PubChem CID 116740303) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
PubChem CID116740303
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
SMILESCCC(C)(OC)c1noc(-c2ccc3nc(N)sc3c2)n1
InChIInChI=1S/C14H16N4O2S/c1-4-14(2,19-3)12-17-11(20-18-12)8-5-6-9-10(7-8)21-13(15)16-9/h5-7H,4H2,1-3H3,(H2,15,16)
InChIKeyKSEBJCGWEADFQT-UHFFFAOYSA-N
XLogP3.20
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine (CID 116740303) is 6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine is CCC(C)(OC)c1noc(-c2ccc3nc(N)sc3c2)n1.
What is the InChIKey of 6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine?
The InChIKey is KSEBJCGWEADFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-4-14(2,19-3)12-17-11(20-18-12)8-5-6-9-10(7-8)21-13(15)16-9/h5-7H,4H2,1-3H3,(H2,15,16).
What are the key properties of 6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine?
6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine has a molecular weight of 304.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 116740303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).