2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole

C14H20N4O2S2 — CID 124997319

IUPAC2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc([C@@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)s1
InChIInChI=1S/C14H20N4O2S2/c1-10-7-15-14(21-10)12-5-4-6-18(8-12)22(19,20)13-9-17(3)16-11(13)2/h7,9,12H,4-6,8H2,1-3H3/t12-/m1/s1
InChIKeyQZJGADWYCIRPFI-GFCCVEGCSA-N
MW340.47 g/mol
LogP2.06
Rot. Bonds3

About 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole

2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole (PubChem CID 124997319) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole
PubChem CID124997319
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC Name2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc([C@@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)s1
InChIInChI=1S/C14H20N4O2S2/c1-10-7-15-14(21-10)12-5-4-6-18(8-12)22(19,20)13-9-17(3)16-11(13)2/h7,9,12H,4-6,8H2,1-3H3/t12-/m1/s1
InChIKeyQZJGADWYCIRPFI-GFCCVEGCSA-N
XLogP2.06
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole (CID 124997319) is 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole is Cc1cnc([C@@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)s1.
What is the InChIKey of 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole?
The InChIKey is QZJGADWYCIRPFI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-10-7-15-14(21-10)12-5-4-6-18(8-12)22(19,20)13-9-17(3)16-11(13)2/h7,9,12H,4-6,8H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole?
2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole has a molecular weight of 340.47 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 124997319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).