5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

C14H18Cl2N4O2S2 — CID 120902380

IUPAC5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C14H17ClN4O2S2.ClH/c15-11-1-3-13(4-2-11)23(20,21)19-7-5-18(6-8-19)10-12-9-17-14(16)22-12;/h1-4,9H,5-8,10H2,(H2,16,17);1H
InChIKeyYZZYREZBBCEUDC-UHFFFAOYSA-N
MW409.36 g/mol
LogP2.31
Rot. Bonds4

About 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120902380) has the molecular formula C14H18Cl2N4O2S2 and a molecular weight of 409.36 g/mol. Its IUPAC name is 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120902380
Molecular FormulaC14H18Cl2N4O2S2
Molecular Weight409.36 g/mol
Exact Mass408.02
IUPAC Name5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C14H17ClN4O2S2.ClH/c15-11-1-3-13(4-2-11)23(20,21)19-7-5-18(6-8-19)10-12-9-17-14(16)22-12;/h1-4,9H,5-8,10H2,(H2,16,17);1H
InChIKeyYZZYREZBBCEUDC-UHFFFAOYSA-N
XLogP2.31
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902392
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902713
1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine
CID 9301421
5-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897945
5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897575
1-(4-chlorophenyl)sulfonyl-4-[(3-chloro-4-pyridinyl)methyl]piperazine
CID 126766793
5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904537
5-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120898251
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898548
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole
CID 17488115

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120902380) is 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)s1.
What is the InChIKey of 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is YZZYREZBBCEUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2S2.ClH/c15-11-1-3-13(4-2-11)23(20,21)19-7-5-18(6-8-19)10-12-9-17-14(16)22-12;/h1-4,9H,5-8,10H2,(H2,16,17);1H.
What are the key properties of 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 409.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120902380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).