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

C14H14N4O2S — CID 116701325

IUPAC6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
SMILESCOC1(c2noc(-c3ccc4nc(N)sc4c3)n2)CCC1
InChIInChI=1S/C14H14N4O2S/c1-19-14(5-2-6-14)12-17-11(20-18-12)8-3-4-9-10(7-8)21-13(15)16-9/h3-4,7H,2,5-6H2,1H3,(H2,15,16)
InChIKeyCNZQDKUHHKHFET-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.95
Rot. Bonds3

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

6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine (PubChem CID 116701325) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
PubChem CID116701325
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
SMILESCOC1(c2noc(-c3ccc4nc(N)sc4c3)n2)CCC1
InChIInChI=1S/C14H14N4O2S/c1-19-14(5-2-6-14)12-17-11(20-18-12)8-3-4-9-10(7-8)21-13(15)16-9/h3-4,7H,2,5-6H2,1H3,(H2,15,16)
InChIKeyCNZQDKUHHKHFET-UHFFFAOYSA-N
XLogP2.95
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

2-bromo-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813828
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609706
4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116741607
2,6-dichloro-4-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701463
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904519
4-bromo-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701438
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 104609683
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 104612057
4-iodo-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701426
2-chloro-4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137017762
6-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
CID 116740303
4-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116742192

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine (CID 116701325) is 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine is COC1(c2noc(-c3ccc4nc(N)sc4c3)n2)CCC1.
What is the InChIKey of 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine?
The InChIKey is CNZQDKUHHKHFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-19-14(5-2-6-14)12-17-11(20-18-12)8-3-4-9-10(7-8)21-13(15)16-9/h3-4,7H,2,5-6H2,1H3,(H2,15,16).
What are the key properties of 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine?
6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine has a molecular weight of 302.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 116701325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).