5-bromo-6-methyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione

C8H6BrN3S2 — CID 106479222

IUPAC5-bromo-6-methyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(-c2cncs2)nc(=S)c1Br
InChIInChI=1S/C8H6BrN3S2/c1-4-6(9)8(13)12-7(11-4)5-2-10-3-14-5/h2-3H,1H3,(H,11,12,13)
InChIKeyXZSNVIWNPVPXAF-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.33
Rot. Bonds1

About 5-bromo-6-methyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione

5-bromo-6-methyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione (PubChem CID 106479222) has the molecular formula C8H6BrN3S2 and a molecular weight of 288.20 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-6-methyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione
PubChem CID106479222
Molecular FormulaC8H6BrN3S2
Molecular Weight288.20 g/mol
Exact Mass286.92
IUPAC Name5-bromo-6-methyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(-c2cncs2)nc(=S)c1Br
InChIInChI=1S/C8H6BrN3S2/c1-4-6(9)8(13)12-7(11-4)5-2-10-3-14-5/h2-3H,1H3,(H,11,12,13)
InChIKeyXZSNVIWNPVPXAF-UHFFFAOYSA-N
XLogP3.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-6-methyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-6-ethyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione
CID 106479987
methyl 6-methyl-4-sulfanylidene-2-(1,3-thiazol-5-yl)-1H-pyrimidine-5-carboxylate
CID 114031119
5-bromo-6-methyl-2-pyrazin-2-yl-1H-pyrimidine-4-thione
CID 106479090
5-bromo-6-methyl-2-phenyl-1H-pyrimidine-4-thione
CID 106479091
5-bromo-2-(3-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione
CID 106479156
2-(5-bromothiophen-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476810
5-bromo-6-methyl-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidine-4-thione
CID 106479217
2-(4-bromophenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 143295060
5-bromo-2-(tert-butylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106479101
iridium;5-methyl-1,3-thiazole
CID 141044355
5-bromo-2-(cyclopentylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106478987
5-bromo-6-methyl-2-(propylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106479213

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-6-methyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione (CID 106479222) is 5-bromo-6-methyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-6-methyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-6-methyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione is Cc1[nH]c(-c2cncs2)nc(=S)c1Br.
What is the InChIKey of 5-bromo-6-methyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione?
The InChIKey is XZSNVIWNPVPXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3S2/c1-4-6(9)8(13)12-7(11-4)5-2-10-3-14-5/h2-3H,1H3,(H,11,12,13).
What are the key properties of 5-bromo-6-methyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione?
5-bromo-6-methyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione has a molecular weight of 288.20 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106479222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).