phenyl-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone;hydrochloride

C18H18ClN5OS — CID 18787145

IUPACphenyl-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccccc1)c1nsc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C18H17N5OS.ClH/c24-16(14-6-2-1-3-7-14)17-20-18(25-21-17)23-12-10-22(11-13-23)15-8-4-5-9-19-15;/h1-9H,10-13H2;1H
InChIKeyFHDIXJJZXNIBGI-UHFFFAOYSA-N
MW387.90 g/mol
LogP2.91
Rot. Bonds4

About phenyl-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone;hydrochloride

phenyl-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone;hydrochloride (PubChem CID 18787145) has the molecular formula C18H18ClN5OS and a molecular weight of 387.90 g/mol. Its IUPAC name is phenyl-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Namephenyl-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone;hydrochloride
PubChem CID18787145
Molecular FormulaC18H18ClN5OS
Molecular Weight387.90 g/mol
Exact Mass387.09
IUPAC Namephenyl-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccccc1)c1nsc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C18H17N5OS.ClH/c24-16(14-6-2-1-3-7-14)17-20-18(25-21-17)23-12-10-22(11-13-23)15-8-4-5-9-19-15;/h1-9H,10-13H2;1H
InChIKeyFHDIXJJZXNIBGI-UHFFFAOYSA-N
XLogP2.91
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.90
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze phenyl-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone;hydrochloride with MolForge

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Related Compounds

(2-chlorophenyl)-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone
CID 18787143
1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
CID 64544015
2-chloro-2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 3509836
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
(E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one
CID 110297208
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 23851243
4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 171335410
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 133359579

Frequently Asked Questions

What is the IUPAC name of phenyl-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone;hydrochloride?
The IUPAC name of phenyl-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone;hydrochloride (CID 18787145) is phenyl-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone;hydrochloride.
What is the SMILES notation for phenyl-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone;hydrochloride?
The canonical SMILES for phenyl-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone;hydrochloride is Cl.O=C(c1ccccc1)c1nsc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of phenyl-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone;hydrochloride?
The InChIKey is FHDIXJJZXNIBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS.ClH/c24-16(14-6-2-1-3-7-14)17-20-18(25-21-17)23-12-10-22(11-13-23)15-8-4-5-9-19-15;/h1-9H,10-13H2;1H.
What are the key properties of phenyl-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone;hydrochloride?
phenyl-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone;hydrochloride has a molecular weight of 387.90 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-thiadiazol-3-yl]methanone;hydrochloride is sourced from PubChem (CID 18787145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).