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

C10H7N3OS — CID 117309227

IUPAC3-(1,3-benzothiazol-6-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc3ncsc3c2)no1
InChIInChI=1S/C10H7N3OS/c11-10-4-8(13-14-10)6-1-2-7-9(3-6)15-5-12-7/h1-5H,11H2
InChIKeyVPTYBSOOYFDJRU-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.53
Rot. Bonds1

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

3-(1,3-benzothiazol-6-yl)-1,2-oxazol-5-amine (PubChem CID 117309227) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-6-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(1,3-benzothiazol-6-yl)-1,2-oxazol-5-amine
PubChem CID117309227
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC Name3-(1,3-benzothiazol-6-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc3ncsc3c2)no1
InChIInChI=1S/C10H7N3OS/c11-10-4-8(13-14-10)6-1-2-7-9(3-6)15-5-12-7/h1-5H,11H2
InChIKeyVPTYBSOOYFDJRU-UHFFFAOYSA-N
XLogP2.53
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115003949
6-bromo-1,3-benzothiazole;hydrazine
CID 174420817
1-[5-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854176
1-[5-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862025
6-(2-chloropyrimidin-4-yl)-1,3-benzothiazole
CID 134228541
6-(1H-pyrrol-2-yl)-1,3-benzothiazole
CID 67416063
3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117314495
6-(3-chlorophenyl)-1,3-benzothiazole
CID 166918051
6-(4-methoxyphenyl)-1,3-benzothiazole
CID 91124365
3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
CID 82492852
3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 3382841
3-[4-(thietan-3-yl)phenyl]-1,2-oxazol-5-amine
CID 117336607

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-6-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(1,3-benzothiazol-6-yl)-1,2-oxazol-5-amine (CID 117309227) is 3-(1,3-benzothiazol-6-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(1,3-benzothiazol-6-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(1,3-benzothiazol-6-yl)-1,2-oxazol-5-amine is Nc1cc(-c2ccc3ncsc3c2)no1.
What is the InChIKey of 3-(1,3-benzothiazol-6-yl)-1,2-oxazol-5-amine?
The InChIKey is VPTYBSOOYFDJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c11-10-4-8(13-14-10)6-1-2-7-9(3-6)15-5-12-7/h1-5H,11H2.
What are the key properties of 3-(1,3-benzothiazol-6-yl)-1,2-oxazol-5-amine?
3-(1,3-benzothiazol-6-yl)-1,2-oxazol-5-amine has a molecular weight of 217.25 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-6-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117309227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).