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

C15H21ClN4O3S2 — CID 120902392

IUPAC5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3cnc(N)s3)CC2)cc1.Cl
InChIInChI=1S/C15H20N4O3S2.ClH/c1-22-12-2-4-14(5-3-12)24(20,21)19-8-6-18(7-9-19)11-13-10-17-15(16)23-13;/h2-5,10H,6-9,11H2,1H3,(H2,16,17);1H
InChIKeyJEOKMRADTAGGCZ-UHFFFAOYSA-N
MW404.95 g/mol
LogP1.66
Rot. Bonds5

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

5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120902392) has the molecular formula C15H21ClN4O3S2 and a molecular weight of 404.95 g/mol. Its IUPAC name is 5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120902392
Molecular FormulaC15H21ClN4O3S2
Molecular Weight404.95 g/mol
Exact Mass404.07
IUPAC Name5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3cnc(N)s3)CC2)cc1.Cl
InChIInChI=1S/C15H20N4O3S2.ClH/c1-22-12-2-4-14(5-3-12)24(20,21)19-8-6-18(7-9-19)11-13-10-17-15(16)23-13;/h2-5,10H,6-9,11H2,1H3,(H2,16,17);1H
InChIKeyJEOKMRADTAGGCZ-UHFFFAOYSA-N
XLogP1.66
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.95
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902380
5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine
CID 120902755
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902713
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463697
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897925
1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 998107
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 17060302
2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 26575815
5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902600

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120902392) is 5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is COc1ccc(S(=O)(=O)N2CCN(Cc3cnc(N)s3)CC2)cc1.Cl.
What is the InChIKey of 5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is JEOKMRADTAGGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2.ClH/c1-22-12-2-4-14(5-3-12)24(20,21)19-8-6-18(7-9-19)11-13-10-17-15(16)23-13;/h2-5,10H,6-9,11H2,1H3,(H2,16,17);1H.
What are the key properties of 5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 404.95 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120902392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).