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

C10H8N4OS — CID 115003949

IUPAC[3-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2ccc3ncsc3c2)no1
InChIInChI=1S/C10H8N4OS/c11-4-9-13-10(14-15-9)6-1-2-7-8(3-6)16-5-12-7/h1-3,5H,4,11H2
InChIKeyZTRKXSIXZJTITA-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.80
Rot. Bonds2

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

[3-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 115003949) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is [3-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID115003949
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name[3-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2ccc3ncsc3c2)no1
InChIInChI=1S/C10H8N4OS/c11-4-9-13-10(14-15-9)6-1-2-7-8(3-6)16-5-12-7/h1-3,5H,4,11H2
InChIKeyZTRKXSIXZJTITA-UHFFFAOYSA-N
XLogP1.80
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[3-(1,2,3-benzothiadiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117337788
[3-(1,2-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117336157
[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82487508
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-chloroaniline
CID 115112709
3-(1,3-benzothiazol-6-yl)-1,2-oxazol-5-amine
CID 117309227
[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330229
5-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 81147334
[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82473258
(3-isoquinolin-6-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 117325171
[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117360199
[3-[3-(1,3-oxazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117357252
1,3-benzothiazol-6-ylmethanamine;hydrochloride
CID 133063605

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 115003949) is [3-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(-c2ccc3ncsc3c2)no1.
What is the InChIKey of [3-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is ZTRKXSIXZJTITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c11-4-9-13-10(14-15-9)6-1-2-7-8(3-6)16-5-12-7/h1-3,5H,4,11H2.
What are the key properties of [3-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 232.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 115003949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).