[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C18H24N4O3S3 — CID 134050436

IUPAC[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCN(c4nccs4)CC3)C2)s1
InChIInChI=1S/C18H24N4O3S3/c1-14-4-5-16(27-14)28(24,25)22-7-2-3-15(13-22)17(23)20-8-10-21(11-9-20)18-19-6-12-26-18/h4-6,12,15H,2-3,7-11,13H2,1H3
InChIKeyRBUAKOAKOUYNRG-UHFFFAOYSA-N
MW440.62 g/mol
LogP2.26
Rot. Bonds4

About [1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 134050436) has the molecular formula C18H24N4O3S3 and a molecular weight of 440.62 g/mol. Its IUPAC name is [1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID134050436
Molecular FormulaC18H24N4O3S3
Molecular Weight440.62 g/mol
Exact Mass440.10
IUPAC Name[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCN(c4nccs4)CC3)C2)s1
InChIInChI=1S/C18H24N4O3S3/c1-14-4-5-16(27-14)28(24,25)22-7-2-3-15(13-22)17(23)20-8-10-21(11-9-20)18-19-6-12-26-18/h4-6,12,15H,2-3,7-11,13H2,1H3
InChIKeyRBUAKOAKOUYNRG-UHFFFAOYSA-N
XLogP2.26
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.62
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone
CID 46521682
1,4-diazepan-1-yl-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone
CID 119418448
[4-(methylaminomethyl)piperidin-1-yl]-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone
CID 119546707
1-(5-methylthiophen-2-yl)sulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43073783
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
(3S)-N,N-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 94162861
[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 24618166
(3R)-3-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 33179413
[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 16826198
(4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56863070
2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 72930668

Frequently Asked Questions

What is the IUPAC name of [1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 134050436) is [1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCN(c4nccs4)CC3)C2)s1.
What is the InChIKey of [1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is RBUAKOAKOUYNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S3/c1-14-4-5-16(27-14)28(24,25)22-7-2-3-15(13-22)17(23)20-8-10-21(11-9-20)18-19-6-12-26-18/h4-6,12,15H,2-3,7-11,13H2,1H3.
What are the key properties of [1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 440.62 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 134050436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).