4-[4-[(4-piperazin-1-ylthiophen-2-yl)sulfonylmethyl]phenyl]thiadiazole;hydrochloride

C17H19ClN4O2S3 — CID 142777032

IUPAC4-[4-[(4-piperazin-1-ylthiophen-2-yl)sulfonylmethyl]phenyl]thiadiazole;hydrochloride
SMILESCl.O=S(=O)(Cc1ccc(-c2csnn2)cc1)c1cc(N2CCNCC2)cs1
InChIInChI=1S/C17H18N4O2S3.ClH/c22-26(23,17-9-15(10-24-17)21-7-5-18-6-8-21)12-13-1-3-14(4-2-13)16-11-25-20-19-16;/h1-4,9-11,18H,5-8,12H2;1H
InChIKeyKOSCFFHXYUNGME-UHFFFAOYSA-N
MW443.02 g/mol
LogP3.07
Rot. Bonds5

About 4-[4-[(4-piperazin-1-ylthiophen-2-yl)sulfonylmethyl]phenyl]thiadiazole;hydrochloride

4-[4-[(4-piperazin-1-ylthiophen-2-yl)sulfonylmethyl]phenyl]thiadiazole;hydrochloride (PubChem CID 142777032) has the molecular formula C17H19ClN4O2S3 and a molecular weight of 443.02 g/mol. Its IUPAC name is 4-[4-[(4-piperazin-1-ylthiophen-2-yl)sulfonylmethyl]phenyl]thiadiazole;hydrochloride.

Molecular Properties

Compound Name4-[4-[(4-piperazin-1-ylthiophen-2-yl)sulfonylmethyl]phenyl]thiadiazole;hydrochloride
PubChem CID142777032
Molecular FormulaC17H19ClN4O2S3
Molecular Weight443.02 g/mol
Exact Mass442.04
IUPAC Name4-[4-[(4-piperazin-1-ylthiophen-2-yl)sulfonylmethyl]phenyl]thiadiazole;hydrochloride
SMILESCl.O=S(=O)(Cc1ccc(-c2csnn2)cc1)c1cc(N2CCNCC2)cs1
InChIInChI=1S/C17H18N4O2S3.ClH/c22-26(23,17-9-15(10-24-17)21-7-5-18-6-8-21)12-13-1-3-14(4-2-13)16-11-25-20-19-16;/h1-4,9-11,18H,5-8,12H2;1H
InChIKeyKOSCFFHXYUNGME-UHFFFAOYSA-N
XLogP3.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.02
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[5-[[2,5-bis(trifluoromethyl)phenyl]methylsulfonyl]thiophen-3-yl]piperazine;hydrochloride
CID 142780496
1-[5-[[2,5-bis(trifluoromethyl)phenyl]methylsulfonyl]thiophen-3-yl]piperazine
CID 142780497
2-[(4-methylphenyl)methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine
CID 10047956
4-[4-(2,2-dimethylpropyl)phenyl]thiadiazole
CID 20774353
2-[(4-bromophenyl)methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine
CID 10005739
4-piperazin-1-ylthiophene-2-carbaldehyde
CID 82375799
2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole
CID 58985190
2-benzylsulfonyl-4-piperazin-1-ylthieno[3,2-c]pyridine
CID 10386823
4-(4-piperazin-1-ylphenyl)benzenesulfonyl chloride
CID 121464193
4-[(4-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole;dihydrochloride
CID 3056209
2-(4-methylphenyl)-4-piperazin-1-yl-1,3-thiazole
CID 116889870
6-methyl-4-(4-piperazin-1-ylphenyl)-1H-pyrimidin-2-one
CID 96667655

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-piperazin-1-ylthiophen-2-yl)sulfonylmethyl]phenyl]thiadiazole;hydrochloride?
The IUPAC name of 4-[4-[(4-piperazin-1-ylthiophen-2-yl)sulfonylmethyl]phenyl]thiadiazole;hydrochloride (CID 142777032) is 4-[4-[(4-piperazin-1-ylthiophen-2-yl)sulfonylmethyl]phenyl]thiadiazole;hydrochloride.
What is the SMILES notation for 4-[4-[(4-piperazin-1-ylthiophen-2-yl)sulfonylmethyl]phenyl]thiadiazole;hydrochloride?
The canonical SMILES for 4-[4-[(4-piperazin-1-ylthiophen-2-yl)sulfonylmethyl]phenyl]thiadiazole;hydrochloride is Cl.O=S(=O)(Cc1ccc(-c2csnn2)cc1)c1cc(N2CCNCC2)cs1.
What is the InChIKey of 4-[4-[(4-piperazin-1-ylthiophen-2-yl)sulfonylmethyl]phenyl]thiadiazole;hydrochloride?
The InChIKey is KOSCFFHXYUNGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S3.ClH/c22-26(23,17-9-15(10-24-17)21-7-5-18-6-8-21)12-13-1-3-14(4-2-13)16-11-25-20-19-16;/h1-4,9-11,18H,5-8,12H2;1H.
What are the key properties of 4-[4-[(4-piperazin-1-ylthiophen-2-yl)sulfonylmethyl]phenyl]thiadiazole;hydrochloride?
4-[4-[(4-piperazin-1-ylthiophen-2-yl)sulfonylmethyl]phenyl]thiadiazole;hydrochloride has a molecular weight of 443.02 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-piperazin-1-ylthiophen-2-yl)sulfonylmethyl]phenyl]thiadiazole;hydrochloride is sourced from PubChem (CID 142777032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).