4-cyclobutyloxy-6-methyl-1,3-benzothiazole

C12H13NOS — CID 134430415

IUPAC4-cyclobutyloxy-6-methyl-1,3-benzothiazole
SMILESCc1cc(OC2CCC2)c2ncsc2c1
InChIInChI=1S/C12H13NOS/c1-8-5-10(14-9-3-2-4-9)12-11(6-8)15-7-13-12/h5-7,9H,2-4H2,1H3
InChIKeyMZKRSXLUYOJZRG-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.54
Rot. Bonds2

About 4-cyclobutyloxy-6-methyl-1,3-benzothiazole

4-cyclobutyloxy-6-methyl-1,3-benzothiazole (PubChem CID 134430415) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-cyclobutyloxy-6-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name4-cyclobutyloxy-6-methyl-1,3-benzothiazole
PubChem CID134430415
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name4-cyclobutyloxy-6-methyl-1,3-benzothiazole
SMILESCc1cc(OC2CCC2)c2ncsc2c1
InChIInChI=1S/C12H13NOS/c1-8-5-10(14-9-3-2-4-9)12-11(6-8)15-7-13-12/h5-7,9H,2-4H2,1H3
InChIKeyMZKRSXLUYOJZRG-UHFFFAOYSA-N
XLogP3.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(6-methyl-1,3-benzothiazol-4-yl)oxy]azetidin-1-yl]-(oxan-3-ylphosphanyl)methanone
CID 134431457
3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic acid
CID 139369212
1-cyclobutyloxy-2-fluoro-3,5-dimethylbenzene
CID 130057182
3-chloro-8-cyclopropyloxy-6-methylquinoline
CID 156872367
8-cyclopropyloxy-3,6-dimethylquinoline;formic acid
CID 156896216
4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 139664304
4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridine
CID 58570410
6-bromo-4-methoxy-1,3-benzothiazole
CID 130937417
2-bromo-1-cyclobutyloxy-4-methylbenzene
CID 84702402
2-cyclopentyloxy-4-methylpyridine
CID 18779821
3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-methyl-1-oxidopyridin-1-ium-2-yl)azetidin-3-yl]cyclobutane-1-carboxamide
CID 139369175
6-[4-(2,3-dichlorophenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol
CID 67275779

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-6-methyl-1,3-benzothiazole?
The IUPAC name of 4-cyclobutyloxy-6-methyl-1,3-benzothiazole (CID 134430415) is 4-cyclobutyloxy-6-methyl-1,3-benzothiazole.
What is the SMILES notation for 4-cyclobutyloxy-6-methyl-1,3-benzothiazole?
The canonical SMILES for 4-cyclobutyloxy-6-methyl-1,3-benzothiazole is Cc1cc(OC2CCC2)c2ncsc2c1.
What is the InChIKey of 4-cyclobutyloxy-6-methyl-1,3-benzothiazole?
The InChIKey is MZKRSXLUYOJZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8-5-10(14-9-3-2-4-9)12-11(6-8)15-7-13-12/h5-7,9H,2-4H2,1H3.
What are the key properties of 4-cyclobutyloxy-6-methyl-1,3-benzothiazole?
4-cyclobutyloxy-6-methyl-1,3-benzothiazole has a molecular weight of 219.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-6-methyl-1,3-benzothiazole is sourced from PubChem (CID 134430415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).