5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,2-oxazol-3-amine

C13H11N3OS — CID 117396570

IUPAC5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc3nc(C4CC4)sc3c2)on1
InChIInChI=1S/C13H11N3OS/c14-12-6-10(17-16-12)8-3-4-9-11(5-8)18-13(15-9)7-1-2-7/h3-7H,1-2H2,(H2,14,16)
InChIKeyGGFULORWHQGXST-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.41
Rot. Bonds2

About 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,2-oxazol-3-amine

5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,2-oxazol-3-amine (PubChem CID 117396570) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,2-oxazol-3-amine
PubChem CID117396570
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc3nc(C4CC4)sc3c2)on1
InChIInChI=1S/C13H11N3OS/c14-12-6-10(17-16-12)8-3-4-9-11(5-8)18-13(15-9)7-1-2-7/h3-7H,1-2H2,(H2,14,16)
InChIKeyGGFULORWHQGXST-UHFFFAOYSA-N
XLogP3.41
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1H-pyrazol-3-amine
CID 117394421
5-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,2-oxazol-3-amine
CID 117389001
4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine
CID 117396578
[4-(6-fluoro-1,3-benzothiazol-2-yl)cyclohexyl]methanamine
CID 79525945
5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine
CID 117447033
5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
CID 117475662
5-(3-piperidin-4-ylphenyl)-1,2-oxazol-3-amine
CID 117360352
5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1,2-oxazol-3-amine
CID 117419702
4-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzothiazol-6-yl]pyrimidin-2-amine
CID 46879638
2-cyclopropyl-6-(2-piperazin-1-ylethyl)-1,3-benzothiazole
CID 117464136
6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383029
5-[4-(oxan-4-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117404768

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,2-oxazol-3-amine (CID 117396570) is 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,2-oxazol-3-amine is Nc1cc(-c2ccc3nc(C4CC4)sc3c2)on1.
What is the InChIKey of 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,2-oxazol-3-amine?
The InChIKey is GGFULORWHQGXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c14-12-6-10(17-16-12)8-3-4-9-11(5-8)18-13(15-9)7-1-2-7/h3-7H,1-2H2,(H2,14,16).
What are the key properties of 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,2-oxazol-3-amine?
5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,2-oxazol-3-amine has a molecular weight of 257.32 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117396570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).