4-(6-methyl-1,3-benzothiazol-2-yl)oxan-4-amine

C13H16N2OS — CID 115292485

IUPAC4-(6-methyl-1,3-benzothiazol-2-yl)oxan-4-amine
SMILESCc1ccc2nc(C3(N)CCOCC3)sc2c1
InChIInChI=1S/C13H16N2OS/c1-9-2-3-10-11(8-9)17-12(15-10)13(14)4-6-16-7-5-13/h2-3,8H,4-7,14H2,1H3
InChIKeyPELPOSMAXJSLMC-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.57
Rot. Bonds1

About 4-(6-methyl-1,3-benzothiazol-2-yl)oxan-4-amine

4-(6-methyl-1,3-benzothiazol-2-yl)oxan-4-amine (PubChem CID 115292485) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-(6-methyl-1,3-benzothiazol-2-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(6-methyl-1,3-benzothiazol-2-yl)oxan-4-amine
PubChem CID115292485
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-(6-methyl-1,3-benzothiazol-2-yl)oxan-4-amine
SMILESCc1ccc2nc(C3(N)CCOCC3)sc2c1
InChIInChI=1S/C13H16N2OS/c1-9-2-3-10-11(8-9)17-12(15-10)13(14)4-6-16-7-5-13/h2-3,8H,4-7,14H2,1H3
InChIKeyPELPOSMAXJSLMC-UHFFFAOYSA-N
XLogP2.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-fluoro-1,3-benzothiazol-2-yl)oxolan-3-amine
CID 79148500
2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol
CID 84779151
[1-(6-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine
CID 115433690
1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 79527764
4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine
CID 61332257
1-(6-chloro-1,3-benzothiazol-2-yl)cycloheptan-1-amine
CID 79528035
1-(6-bromo-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 79534201
methyl 1-(6-methyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxylate
CID 79733976
2-chloro-6-methyl-1,3-benzothiazole
CID 2049866
2-iodo-6-methyl-1,3-benzothiazole
CID 90078540
4-(1,5-dimethylbenzimidazol-2-yl)oxan-4-amine
CID 115292247
3-methyl-1-(5-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 61290909

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-1,3-benzothiazol-2-yl)oxan-4-amine?
The IUPAC name of 4-(6-methyl-1,3-benzothiazol-2-yl)oxan-4-amine (CID 115292485) is 4-(6-methyl-1,3-benzothiazol-2-yl)oxan-4-amine.
What is the SMILES notation for 4-(6-methyl-1,3-benzothiazol-2-yl)oxan-4-amine?
The canonical SMILES for 4-(6-methyl-1,3-benzothiazol-2-yl)oxan-4-amine is Cc1ccc2nc(C3(N)CCOCC3)sc2c1.
What is the InChIKey of 4-(6-methyl-1,3-benzothiazol-2-yl)oxan-4-amine?
The InChIKey is PELPOSMAXJSLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-2-3-10-11(8-9)17-12(15-10)13(14)4-6-16-7-5-13/h2-3,8H,4-7,14H2,1H3.
What are the key properties of 4-(6-methyl-1,3-benzothiazol-2-yl)oxan-4-amine?
4-(6-methyl-1,3-benzothiazol-2-yl)oxan-4-amine has a molecular weight of 248.35 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-1,3-benzothiazol-2-yl)oxan-4-amine is sourced from PubChem (CID 115292485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).