[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone

C14H16FN5OS — CID 146041511

IUPAC[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
SMILESCc1nsnc1C(=O)N1CCN(c2ccc(F)cn2)C(C)C1
InChIInChI=1S/C14H16FN5OS/c1-9-8-19(14(21)13-10(2)17-22-18-13)5-6-20(9)12-4-3-11(15)7-16-12/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyAFBCHTGNNAUMSQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.73
Rot. Bonds2

About [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone

[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone (PubChem CID 146041511) has the molecular formula C14H16FN5OS and a molecular weight of 321.38 g/mol. Its IUPAC name is [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
PubChem CID146041511
Molecular FormulaC14H16FN5OS
Molecular Weight321.38 g/mol
Exact Mass321.11
IUPAC Name[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
SMILESCc1nsnc1C(=O)N1CCN(c2ccc(F)cn2)C(C)C1
InChIInChI=1S/C14H16FN5OS/c1-9-8-19(14(21)13-10(2)17-22-18-13)5-6-20(9)12-4-3-11(15)7-16-12/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyAFBCHTGNNAUMSQ-UHFFFAOYSA-N
XLogP1.73
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 146043710
(1-benzylpyrazolo[5,4-b]pyridin-3-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone
CID 146038836
2-(4-chlorophenoxy)-1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]ethanone
CID 146045286
(5-chloro-7-methoxy-1-benzofuran-2-yl)-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]methanone
CID 154568660
3-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazine-1-carbonyl]-1-(2-methoxyphenyl)-4-methylpyridin-2-one
CID 172671190
1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 146043390
3-(1H-benzimidazol-2-yl)-1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]propan-1-one
CID 154568485
4-butylsulfonyl-1-(5-fluoro-2-pyridinyl)-2-methylpiperazine
CID 146045340
(4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
CID 71682644
N-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide
CID 166270134
1-adamantyl-[(3R)-3-methyl-4-pyrimidin-4-ylpiperazin-1-yl]methanone
CID 71682962
[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone
CID 138809548

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone (CID 146041511) is [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone is Cc1nsnc1C(=O)N1CCN(c2ccc(F)cn2)C(C)C1.
What is the InChIKey of [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is AFBCHTGNNAUMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5OS/c1-9-8-19(14(21)13-10(2)17-22-18-13)5-6-20(9)12-4-3-11(15)7-16-12/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone?
[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]-(4-methyl-1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 146041511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).