5-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-1,4-oxazine

C12H12N2OS — CID 170741854

IUPAC5-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-1,4-oxazine
SMILESCc1nc2cc(C3=NCCOC3)ccc2s1
InChIInChI=1S/C12H12N2OS/c1-8-14-10-6-9(2-3-12(10)16-8)11-7-15-5-4-13-11/h2-3,6H,4-5,7H2,1H3
InChIKeyYYZZVIPFAYPWJI-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.42
Rot. Bonds1

About 5-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-1,4-oxazine

5-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-1,4-oxazine (PubChem CID 170741854) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 5-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name5-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-1,4-oxazine
PubChem CID170741854
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name5-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-1,4-oxazine
SMILESCc1nc2cc(C3=NCCOC3)ccc2s1
InChIInChI=1S/C12H12N2OS/c1-8-14-10-6-9(2-3-12(10)16-8)11-7-15-5-4-13-11/h2-3,6H,4-5,7H2,1H3
InChIKeyYYZZVIPFAYPWJI-UHFFFAOYSA-N
XLogP2.42
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydro-1-benzofuran-6-yl)-2-methyl-1,3-benzothiazole
CID 155911185
4-(2-methyl-1,3-benzothiazol-5-yl)aniline
CID 59283005
5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole
CID 143753373
4-[5-(2-methyl-1,3-benzothiazol-5-yl)-1H-1,2,4-triazol-3-yl]morpholine
CID 155915225
5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155505909
2-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-4,6-diamine
CID 21101301
2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol
CID 155918906
2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole
CID 155914940
5-(2-methyl-1,3-benzothiazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97444499
4-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155910195
2-methyl-5-pyridin-3-yl-1,3-benzothiazole
CID 24879647
1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol
CID 155495690

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-1,4-oxazine?
The IUPAC name of 5-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-1,4-oxazine (CID 170741854) is 5-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 5-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-1,4-oxazine?
The canonical SMILES for 5-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-1,4-oxazine is Cc1nc2cc(C3=NCCOC3)ccc2s1.
What is the InChIKey of 5-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-1,4-oxazine?
The InChIKey is YYZZVIPFAYPWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-14-10-6-9(2-3-12(10)16-8)11-7-15-5-4-13-11/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 5-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-1,4-oxazine?
5-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-1,4-oxazine has a molecular weight of 232.31 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 170741854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).