2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole

C12H16N4O2S2 — CID 125021411

IUPAC2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole
SMILESCn1cnc(S(=O)(=O)N2CCC[C@H](c3nccs3)C2)c1
InChIInChI=1S/C12H16N4O2S2/c1-15-8-11(14-9-15)20(17,18)16-5-2-3-10(7-16)12-13-4-6-19-12/h4,6,8-10H,2-3,5,7H2,1H3/t10-/m0/s1
InChIKeyYJNFQPLDXZRLJO-JTQLQIEISA-N
MW312.42 g/mol
LogP1.44
Rot. Bonds3

About 2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole

2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole (PubChem CID 125021411) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole
PubChem CID125021411
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole
SMILESCn1cnc(S(=O)(=O)N2CCC[C@H](c3nccs3)C2)c1
InChIInChI=1S/C12H16N4O2S2/c1-15-8-11(14-9-15)20(17,18)16-5-2-3-10(7-16)12-13-4-6-19-12/h4,6,8-10H,2-3,5,7H2,1H3/t10-/m0/s1
InChIKeyYJNFQPLDXZRLJO-JTQLQIEISA-N
XLogP1.44
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 124983935
N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714982
5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole
CID 110096443
1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110257171
5-methyl-4-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine
CID 95824666
(3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95824669
2-[(3R)-1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-1,3-thiazole
CID 124562567
[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249966
N-(4-fluorophenyl)-5-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92503637
2-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 71861370
(4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine
CID 95715901

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole (CID 125021411) is 2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole is Cn1cnc(S(=O)(=O)N2CCC[C@H](c3nccs3)C2)c1.
What is the InChIKey of 2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole?
The InChIKey is YJNFQPLDXZRLJO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-15-8-11(14-9-15)20(17,18)16-5-2-3-10(7-16)12-13-4-6-19-12/h4,6,8-10H,2-3,5,7H2,1H3/t10-/m0/s1.
What are the key properties of 2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole?
2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole has a molecular weight of 312.42 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 125021411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).