5-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole

C12H15FN6S — CID 139028556

IUPAC5-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN(c3ncnc(C)c3F)CC2)n1
InChIInChI=1S/C12H15FN6S/c1-8-10(13)11(15-7-14-8)18-3-5-19(6-4-18)12-16-9(2)17-20-12/h7H,3-6H2,1-2H3
InChIKeyWBIVOYOBPPHZED-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.41
Rot. Bonds2

About 5-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole

5-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 139028556) has the molecular formula C12H15FN6S and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID139028556
Molecular FormulaC12H15FN6S
Molecular Weight294.36 g/mol
Exact Mass294.11
IUPAC Name5-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN(c3ncnc(C)c3F)CC2)n1
InChIInChI=1S/C12H15FN6S/c1-8-10(13)11(15-7-14-8)18-3-5-19(6-4-18)12-16-9(2)17-20-12/h7H,3-6H2,1-2H3
InChIKeyWBIVOYOBPPHZED-UHFFFAOYSA-N
XLogP1.41
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3,3-Difluoropyrrolidin-1-yl)-5-fluoro-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 177318053
2-[4-(5-Fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]propanethioamide
CID 108151156
2-[4-(5-Fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]butanethioamide
CID 108151158
2-[4-(5-Fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropanethioamide
CID 108151161
2-[4-(5-Fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]acetonitrile
CID 113231868
2-[4-(5-Fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanethioamide
CID 114045574
3-Ethyl-5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 121544611
3-Ethyl-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,2,4-thiadiazole
CID 122142874
N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889698
N-(1-{[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889712
N-cyclopropyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890868
N-cyclopropyl-N-(1-{[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890878

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole (CID 139028556) is 5-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CCN(c3ncnc(C)c3F)CC2)n1.
What is the InChIKey of 5-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is WBIVOYOBPPHZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN6S/c1-8-10(13)11(15-7-14-8)18-3-5-19(6-4-18)12-16-9(2)17-20-12/h7H,3-6H2,1-2H3.
What are the key properties of 5-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
5-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 294.36 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 139028556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).