[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone

C14H15FN4O2S — CID 146122341

IUPAC[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
SMILESCOc1cc(N2CCN(C(=O)c3cnns3)CC2)ccc1F
InChIInChI=1S/C14H15FN4O2S/c1-21-12-8-10(2-3-11(12)15)18-4-6-19(7-5-18)14(20)13-9-16-17-22-13/h2-3,8-9H,4-7H2,1H3
InChIKeyDMAUHFMWNGNSQO-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.65
Rot. Bonds3

About [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone

[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone (PubChem CID 146122341) has the molecular formula C14H15FN4O2S and a molecular weight of 322.37 g/mol. Its IUPAC name is [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
PubChem CID146122341
Molecular FormulaC14H15FN4O2S
Molecular Weight322.37 g/mol
Exact Mass322.09
IUPAC Name[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
SMILESCOc1cc(N2CCN(C(=O)c3cnns3)CC2)ccc1F
InChIInChI=1S/C14H15FN4O2S/c1-21-12-8-10(2-3-11(12)15)18-4-6-19(7-5-18)14(20)13-9-16-17-22-13/h2-3,8-9H,4-7H2,1H3
InChIKeyDMAUHFMWNGNSQO-UHFFFAOYSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110363823
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 113076928
4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide
CID 100750755
4-(4-fluoro-3-methoxyphenyl)-N-[(2S)-3-methoxy-2-methylpropyl]piperazine-1-carboxamide
CID 124852030
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
CID 154738087
(3,4-dichlorophenyl)-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone
CID 113077951
1-[4-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 32754911
2-[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylacetic acid
CID 167743043
(5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 38029328
5-tert-butyl-1-(4-fluoro-3-methoxyphenyl)-1,2,4-triazole-3-carboxylic acid
CID 114840593
(3-bromo-4-methoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46522257

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone?
The IUPAC name of [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone (CID 146122341) is [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone?
The canonical SMILES for [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone is COc1cc(N2CCN(C(=O)c3cnns3)CC2)ccc1F.
What is the InChIKey of [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone?
The InChIKey is DMAUHFMWNGNSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2S/c1-21-12-8-10(2-3-11(12)15)18-4-6-19(7-5-18)14(20)13-9-16-17-22-13/h2-3,8-9H,4-7H2,1H3.
What are the key properties of [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone?
[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone has a molecular weight of 322.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 146122341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).