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

C11H13N3S2 — CID 70829690

IUPAC5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,3-thiazole
SMILESCc1cc(C)nc(SCc2scnc2C)n1
InChIInChI=1S/C11H13N3S2/c1-7-4-8(2)14-11(13-7)15-5-10-9(3)12-6-16-10/h4,6H,5H2,1-3H3
InChIKeyONYXQSLXOYBHMK-UHFFFAOYSA-N
MW251.38 g/mol
LogP3.15
Rot. Bonds3

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

5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,3-thiazole (PubChem CID 70829690) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,3-thiazole
PubChem CID70829690
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC Name5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,3-thiazole
SMILESCc1cc(C)nc(SCc2scnc2C)n1
InChIInChI=1S/C11H13N3S2/c1-7-4-8(2)14-11(13-7)15-5-10-9(3)12-6-16-10/h4,6H,5H2,1-3H3
InChIKeyONYXQSLXOYBHMK-UHFFFAOYSA-N
XLogP3.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 53.15
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
4-Methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-thiazole
CID 60393934
3,5,7-Trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
CID 206753
2-[4-(4,6-Dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole
CID 31537210
2-Methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole
CID 45867204
6-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 61283435
4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 125137571
6-Cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
CID 131939811
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-amine
CID 138014686
2-[3-(4,6-Dimethylpyrimidin-2-yl)azetidin-1-yl]-4-ethyl-1,3-thiazole
CID 138019090
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

Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,3-thiazole (CID 70829690) is 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,3-thiazole is Cc1cc(C)nc(SCc2scnc2C)n1.
What is the InChIKey of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,3-thiazole?
The InChIKey is ONYXQSLXOYBHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c1-7-4-8(2)14-11(13-7)15-5-10-9(3)12-6-16-10/h4,6H,5H2,1-3H3.
What are the key properties of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,3-thiazole?
5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,3-thiazole has a molecular weight of 251.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 70829690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).