5-bromo-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole

C11H12BrN3S2 — CID 34320429

IUPAC5-bromo-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole
SMILESCc1cc(C)nc(SCc2nc(C)sc2Br)n1
InChIInChI=1S/C11H12BrN3S2/c1-6-4-7(2)14-11(13-6)16-5-9-10(12)17-8(3)15-9/h4H,5H2,1-3H3
InChIKeyUEDYKKJHRDOURW-UHFFFAOYSA-N
MW330.28 g/mol
LogP3.91
Rot. Bonds3

About 5-bromo-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole

5-bromo-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole (PubChem CID 34320429) has the molecular formula C11H12BrN3S2 and a molecular weight of 330.28 g/mol. Its IUPAC name is 5-bromo-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole
PubChem CID34320429
Molecular FormulaC11H12BrN3S2
Molecular Weight330.28 g/mol
Exact Mass328.97
IUPAC Name5-bromo-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole
SMILESCc1cc(C)nc(SCc2nc(C)sc2Br)n1
InChIInChI=1S/C11H12BrN3S2/c1-6-4-7(2)14-11(13-6)16-5-9-10(12)17-8(3)15-9/h4H,5H2,1-3H3
InChIKeyUEDYKKJHRDOURW-UHFFFAOYSA-N
XLogP3.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,3-thiazol-2-amine
CID 683952
5-Bromo-6-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-3-methylimidazo[2,1-b][1,3]thiazole
CID 1385082
3,5,7-Trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
CID 206753
4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 125137571
4-Ethyl-5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole
CID 139472078
Ethane;4-ethyl-5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole
CID 144092730
5-[[5-Bromo-4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-4-ethyl-1,3-thiazole
CID 162588091
5-Bromo-4-fluoro-6-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidine
CID 164659955
5-Bromo-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 166326581
4-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole
CID 2322538
4,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
CID 61284999
5-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,3-thiazole
CID 70829690

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-bromo-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole (CID 34320429) is 5-bromo-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-bromo-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-bromo-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole is Cc1cc(C)nc(SCc2nc(C)sc2Br)n1.
What is the InChIKey of 5-bromo-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole?
The InChIKey is UEDYKKJHRDOURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S2/c1-6-4-7(2)14-11(13-6)16-5-9-10(12)17-8(3)15-9/h4H,5H2,1-3H3.
What are the key properties of 5-bromo-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole?
5-bromo-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole has a molecular weight of 330.28 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 34320429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).