5-fluoro-6-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2,4-dione

C11H10FN3O3S — CID 112600110

IUPAC5-fluoro-6-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2nc3c(s2)CCCC3)c(O)c1F
InChIInChI=1S/C11H10FN3O3S/c12-7-8(16)14-10(18)15(9(7)17)11-13-5-3-1-2-4-6(5)19-11/h17H,1-4H2,(H,14,16,18)
InChIKeyBOLFWMWVPHPXGU-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.71
Rot. Bonds1

About 5-fluoro-6-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2,4-dione (PubChem CID 112600110) has the molecular formula C11H10FN3O3S and a molecular weight of 283.28 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2,4-dione
PubChem CID112600110
Molecular FormulaC11H10FN3O3S
Molecular Weight283.28 g/mol
Exact Mass283.04
IUPAC Name5-fluoro-6-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2nc3c(s2)CCCC3)c(O)c1F
InChIInChI=1S/C11H10FN3O3S/c12-7-8(16)14-10(18)15(9(7)17)11-13-5-3-1-2-4-6(5)19-11/h17H,1-4H2,(H,14,16,18)
InChIKeyBOLFWMWVPHPXGU-UHFFFAOYSA-N
XLogP0.71
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-6-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2,4-dione with MolForge

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Related Compounds

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3706069
N-[1,1,1,3,3,3-hexafluoro-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propan-2-yl]acetamide
CID 4271203
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 2849734
2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)acetamide
CID 44088673
2,2,2-trifluoro-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)acetamide
CID 7213224
2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 84381448
2,2-difluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 103515700
6-chloro-5-fluoro-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione
CID 104371924
2,2,3,3,3-pentafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 108095226
1-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599774
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600131
2,2,3,3-tetrafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 113250817

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2,4-dione (CID 112600110) is 5-fluoro-6-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2nc3c(s2)CCCC3)c(O)c1F.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2,4-dione?
The InChIKey is BOLFWMWVPHPXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3S/c12-7-8(16)14-10(18)15(9(7)17)11-13-5-3-1-2-4-6(5)19-11/h17H,1-4H2,(H,14,16,18).
What are the key properties of 5-fluoro-6-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2,4-dione has a molecular weight of 283.28 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 112600110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).