methyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride

C14H21ClN4O5S2 — CID 120875719

IUPACmethyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride
SMILESCOC(=O)c1ncsc1S(=O)(=O)N1CCCC(N2CCNCC2=O)C1.Cl
InChIInChI=1S/C14H20N4O5S2.ClH/c1-23-13(20)12-14(24-9-16-12)25(21,22)17-5-2-3-10(8-17)18-6-4-15-7-11(18)19;/h9-10,15H,2-8H2,1H3;1H
InChIKeyBFXNAPXRTTWKQE-UHFFFAOYSA-N
MW424.93 g/mol
LogP-0.06
Rot. Bonds4

About methyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride

methyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride (PubChem CID 120875719) has the molecular formula C14H21ClN4O5S2 and a molecular weight of 424.93 g/mol. Its IUPAC name is methyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride
PubChem CID120875719
Molecular FormulaC14H21ClN4O5S2
Molecular Weight424.93 g/mol
Exact Mass424.06
IUPAC Namemethyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride
SMILESCOC(=O)c1ncsc1S(=O)(=O)N1CCCC(N2CCNCC2=O)C1.Cl
InChIInChI=1S/C14H20N4O5S2.ClH/c1-23-13(20)12-14(24-9-16-12)25(21,22)17-5-2-3-10(8-17)18-6-4-15-7-11(18)19;/h9-10,15H,2-8H2,1H3;1H
InChIKeyBFXNAPXRTTWKQE-UHFFFAOYSA-N
XLogP-0.06
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride with MolForge

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Related Compounds

methyl 5-(3-methoxypyrrolidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate
CID 103531319
methyl 5-(3-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate
CID 104773158
1-[1-(4-fluoro-3-methoxyphenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712913
methyl 5-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylsulfonyl)-1,3-thiazole-4-carboxylate
CID 120874865
1-[(3S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidin-3-yl]piperazin-2-one
CID 124880693
methyl 5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate
CID 113451637
5-(3-hydroxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylic acid
CID 113391928
methyl 5-(2-propylpiperazin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate
CID 120876182
1-[1-(3,6-dimethyl-2-nitrophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712921
1-[1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one
CID 120712898
1-[1-(2-propan-2-ylphenyl)sulfonylpiperidin-3-yl]piperazin-2-one
CID 126785320
1-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712891

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride?
The IUPAC name of methyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride (CID 120875719) is methyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride is COC(=O)c1ncsc1S(=O)(=O)N1CCCC(N2CCNCC2=O)C1.Cl.
What is the InChIKey of methyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride?
The InChIKey is BFXNAPXRTTWKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O5S2.ClH/c1-23-13(20)12-14(24-9-16-12)25(21,22)17-5-2-3-10(8-17)18-6-4-15-7-11(18)19;/h9-10,15H,2-8H2,1H3;1H.
What are the key properties of methyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride?
methyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride has a molecular weight of 424.93 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 120875719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).