5-(5-fluoro-4-methoxypyrimidin-2-yl)-2-methyl-1,3-benzothiazole

C13H10FN3OS — CID 155916267

IUPAC5-(5-fluoro-4-methoxypyrimidin-2-yl)-2-methyl-1,3-benzothiazole
SMILESCOc1nc(-c2ccc3sc(C)nc3c2)ncc1F
InChIInChI=1S/C13H10FN3OS/c1-7-16-10-5-8(3-4-11(10)19-7)12-15-6-9(14)13(17-12)18-2/h3-6H,1-2H3
InChIKeyOYNRZCDGBXDUQK-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.21
Rot. Bonds2

About 5-(5-fluoro-4-methoxypyrimidin-2-yl)-2-methyl-1,3-benzothiazole

5-(5-fluoro-4-methoxypyrimidin-2-yl)-2-methyl-1,3-benzothiazole (PubChem CID 155916267) has the molecular formula C13H10FN3OS and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-(5-fluoro-4-methoxypyrimidin-2-yl)-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name5-(5-fluoro-4-methoxypyrimidin-2-yl)-2-methyl-1,3-benzothiazole
PubChem CID155916267
Molecular FormulaC13H10FN3OS
Molecular Weight275.31 g/mol
Exact Mass275.05
IUPAC Name5-(5-fluoro-4-methoxypyrimidin-2-yl)-2-methyl-1,3-benzothiazole
SMILESCOc1nc(-c2ccc3sc(C)nc3c2)ncc1F
InChIInChI=1S/C13H10FN3OS/c1-7-16-10-5-8(3-4-11(10)19-7)12-15-6-9(14)13(17-12)18-2/h3-6H,1-2H3
InChIKeyOYNRZCDGBXDUQK-UHFFFAOYSA-N
XLogP3.21
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-4,6-diamine
CID 21101301
5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155505909
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
4-(2-methyl-1,3-benzothiazol-5-yl)aniline
CID 59283005
5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole
CID 143753373
2-methyl-5-pyridin-3-yl-1,3-benzothiazole
CID 24879647
4-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155910195
2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol
CID 155918906
4-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 155495503
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
5,6-dimethoxy-2-methyl-1,3-benzothiazole;hydrate
CID 51056765
3-[5-(5-fluoro-4-methoxypyrimidin-2-yl)-1H-pyrazol-3-yl]-1,2-oxazole
CID 118962880

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-4-methoxypyrimidin-2-yl)-2-methyl-1,3-benzothiazole?
The IUPAC name of 5-(5-fluoro-4-methoxypyrimidin-2-yl)-2-methyl-1,3-benzothiazole (CID 155916267) is 5-(5-fluoro-4-methoxypyrimidin-2-yl)-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 5-(5-fluoro-4-methoxypyrimidin-2-yl)-2-methyl-1,3-benzothiazole?
The canonical SMILES for 5-(5-fluoro-4-methoxypyrimidin-2-yl)-2-methyl-1,3-benzothiazole is COc1nc(-c2ccc3sc(C)nc3c2)ncc1F.
What is the InChIKey of 5-(5-fluoro-4-methoxypyrimidin-2-yl)-2-methyl-1,3-benzothiazole?
The InChIKey is OYNRZCDGBXDUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS/c1-7-16-10-5-8(3-4-11(10)19-7)12-15-6-9(14)13(17-12)18-2/h3-6H,1-2H3.
What are the key properties of 5-(5-fluoro-4-methoxypyrimidin-2-yl)-2-methyl-1,3-benzothiazole?
5-(5-fluoro-4-methoxypyrimidin-2-yl)-2-methyl-1,3-benzothiazole has a molecular weight of 275.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-4-methoxypyrimidin-2-yl)-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 155916267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).