5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazole

C14H18FN5OS — CID 124875247

IUPAC5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazole
SMILESCO[C@@H](C)c1nsc(N2CCN(c3ncccc3F)CC2)n1
InChIInChI=1S/C14H18FN5OS/c1-10(21-2)12-17-14(22-18-12)20-8-6-19(7-9-20)13-11(15)4-3-5-16-13/h3-5,10H,6-9H2,1-2H3/t10-/m0/s1
InChIKeyLDHDXPJGHDQAPV-JTQLQIEISA-N
MW323.40 g/mol
LogP2.11
Rot. Bonds4

About 5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazole

5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazole (PubChem CID 124875247) has the molecular formula C14H18FN5OS and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazole
PubChem CID124875247
Molecular FormulaC14H18FN5OS
Molecular Weight323.40 g/mol
Exact Mass323.12
IUPAC Name5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazole
SMILESCO[C@@H](C)c1nsc(N2CCN(c3ncccc3F)CC2)n1
InChIInChI=1S/C14H18FN5OS/c1-10(21-2)12-17-14(22-18-12)20-8-6-19(7-9-20)13-11(15)4-3-5-16-13/h3-5,10H,6-9H2,1-2H3/t10-/m0/s1
InChIKeyLDHDXPJGHDQAPV-JTQLQIEISA-N
XLogP2.11
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazole 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

1-(3-fluoro-2-pyridinyl)-4-phenylpiperazine
CID 171328537
1-(3-fluoro-2-pyridinyl)-1,4-azaphosphinan-4-ium 4-oxide
CID 175693881
4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine
CID 84591972
methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate
CID 71922971
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 71873772
3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole
CID 133335405
2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]aniline
CID 62733433
2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine
CID 102960811
2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpropanenitrile
CID 55201602
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133491003
tert-butyl 4-(3-fluoro-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 171323898
3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine
CID 171914914

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazole (CID 124875247) is 5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazole is CO[C@@H](C)c1nsc(N2CCN(c3ncccc3F)CC2)n1.
What is the InChIKey of 5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazole?
The InChIKey is LDHDXPJGHDQAPV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18FN5OS/c1-10(21-2)12-17-14(22-18-12)20-8-6-19(7-9-20)13-11(15)4-3-5-16-13/h3-5,10H,6-9H2,1-2H3/t10-/m0/s1.
What are the key properties of 5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazole?
5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazole has a molecular weight of 323.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazole is sourced from PubChem (CID 124875247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).