1,3-benzothiazole;methane;1,3-oxazole

C11H12N2OS — CID 159931242

IUPAC1,3-benzothiazole;methane;1,3-oxazole
SMILESC.c1ccc2scnc2c1.c1cocn1
InChIInChI=1S/C7H5NS.C3H3NO.CH4/c1-2-4-7-6(3-1)8-5-9-7;1-2-5-3-4-1;/h1-5H;1-3H;1H4
InChIKeyNZQXAQQOGJNNEY-UHFFFAOYSA-N
MW220.30 g/mol
LogP3.61
Rot. Bonds

About 1,3-benzothiazole;methane;1,3-oxazole

1,3-benzothiazole;methane;1,3-oxazole (PubChem CID 159931242) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 1,3-benzothiazole;methane;1,3-oxazole.

Molecular Properties

Compound Name1,3-benzothiazole;methane;1,3-oxazole
PubChem CID159931242
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name1,3-benzothiazole;methane;1,3-oxazole
SMILESC.c1ccc2scnc2c1.c1cocn1
InChIInChI=1S/C7H5NS.C3H3NO.CH4/c1-2-4-7-6(3-1)8-5-9-7;1-2-5-3-4-1;/h1-5H;1-3H;1H4
InChIKeyNZQXAQQOGJNNEY-UHFFFAOYSA-N
XLogP3.61
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-ylmethyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 75373795
(NE)-N-[1,3-benzothiazol-2-yl(1,3-oxazol-5-yl)methylidene]hydroxylamine
CID 166631237
2-(2-Oxazolyl)-benzothiazole
CID 57170013
6-fluoro-N-(1,3-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 162380380
2-(Benzo[d]thiazol-2-yl)-4-methyloxazole
CID 13331900
(1,3-benzothiazol-2-yl)[(S)-3-(6-methoxy-2-pyrazinyloxy)-1-pyrrolidinyl]methanone
CID 100614247
2-[Ethenoxy(1,3-thiazol-2-yl)methyl]-1,3-benzothiazole
CID 11369367
Benzo[g][1,3]benzothiazole;1,3-oxazole
CID 21253984
2-(5-Isothiocyanato-1,3-benzothiazol-2-yl)-1,3-oxazole
CID 21506685
4-(1,3-Benzothiazol-2-yl)-1,3-oxazole
CID 53900025
2-[[1,3-Benzothiazol-2-yl-(1,3-thiazol-2-yl)-(1,3-thiazol-2-ylmethoxy)methoxy]-bis(1,3-thiazol-2-yl)methoxy]-1,3-oxazole
CID 57170293
2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-1,3-oxazol-5-amine
CID 58592094

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole;methane;1,3-oxazole?
The IUPAC name of 1,3-benzothiazole;methane;1,3-oxazole (CID 159931242) is 1,3-benzothiazole;methane;1,3-oxazole.
What is the SMILES notation for 1,3-benzothiazole;methane;1,3-oxazole?
The canonical SMILES for 1,3-benzothiazole;methane;1,3-oxazole is C.c1ccc2scnc2c1.c1cocn1.
What is the InChIKey of 1,3-benzothiazole;methane;1,3-oxazole?
The InChIKey is NZQXAQQOGJNNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS.C3H3NO.CH4/c1-2-4-7-6(3-1)8-5-9-7;1-2-5-3-4-1;/h1-5H;1-3H;1H4.
What are the key properties of 1,3-benzothiazole;methane;1,3-oxazole?
1,3-benzothiazole;methane;1,3-oxazole has a molecular weight of 220.30 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole;methane;1,3-oxazole is sourced from PubChem (CID 159931242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).