5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione

C8H6FN3S2 — CID 130649775

IUPAC5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione
SMILESCc1cc(-c2[nH]c(=S)ncc2F)sn1
InChIInChI=1S/C8H6FN3S2/c1-4-2-6(14-12-4)7-5(9)3-10-8(13)11-7/h2-3H,1H3,(H,10,11,13)
InChIKeyWEUOZQNMHMYFRJ-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.71
Rot. Bonds1

About 5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione

5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione (PubChem CID 130649775) has the molecular formula C8H6FN3S2 and a molecular weight of 227.29 g/mol. Its IUPAC name is 5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione
PubChem CID130649775
Molecular FormulaC8H6FN3S2
Molecular Weight227.29 g/mol
Exact Mass227.00
IUPAC Name5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione
SMILESCc1cc(-c2[nH]c(=S)ncc2F)sn1
InChIInChI=1S/C8H6FN3S2/c1-4-2-6(14-12-4)7-5(9)3-10-8(13)11-7/h2-3H,1H3,(H,10,11,13)
InChIKeyWEUOZQNMHMYFRJ-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-2-thione
CID 106520460
5-fluoro-6-(2-methylphenyl)-1H-pyrimidine-2-thione
CID 106514472
3-methyl-5-(3-methyl-1,2-thiazol-5-yl)-1,2-thiazole
CID 134094530
5-fluoro-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-2-thione
CID 106515789
5-fluoro-6-[2-methyl-4-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione
CID 106522970
6-(3,4-dichlorophenyl)-5-fluoro-1H-pyrimidine-2-thione
CID 106516337
5-fluoro-6-[4-(trifluoromethyl)thiophen-3-yl]-1H-pyrimidine-2-thione
CID 112745765
3-(3-methyl-1,2-thiazol-5-yl)-1H-pyrazine-2-thione
CID 137209864
6-(3-ethoxyphenyl)-5-fluoro-1H-pyrimidine-2-thione
CID 106519878
5-fluoro-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-2-thione
CID 106520729
5-fluoro-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione
CID 106516785
5,6-difluoro-3-methyl-1H-1,8-naphthyridine-2-thione
CID 118004986

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione?
The IUPAC name of 5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione (CID 130649775) is 5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione?
The canonical SMILES for 5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione is Cc1cc(-c2[nH]c(=S)ncc2F)sn1.
What is the InChIKey of 5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione?
The InChIKey is WEUOZQNMHMYFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3S2/c1-4-2-6(14-12-4)7-5(9)3-10-8(13)11-7/h2-3H,1H3,(H,10,11,13).
What are the key properties of 5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione?
5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione has a molecular weight of 227.29 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(3-methyl-1,2-thiazol-5-yl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 130649775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).