2-[(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole

C15H22N4O2S2 — CID 125018683

IUPAC2-[(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole
SMILESCCn1ncc(S(=O)(=O)N2CCC[C@H](c3ncc(C)s3)C2)c1C
InChIInChI=1S/C15H22N4O2S2/c1-4-19-12(3)14(9-17-19)23(20,21)18-7-5-6-13(10-18)15-16-8-11(2)22-15/h8-9,13H,4-7,10H2,1-3H3/t13-/m0/s1
InChIKeyXQRHGUNEFCPPKB-ZDUSSCGKSA-N
MW354.50 g/mol
LogP2.54
Rot. Bonds4

About 2-[(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole

2-[(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole (PubChem CID 125018683) has the molecular formula C15H22N4O2S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-[(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole
PubChem CID125018683
Molecular FormulaC15H22N4O2S2
Molecular Weight354.50 g/mol
Exact Mass354.12
IUPAC Name2-[(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole
SMILESCCn1ncc(S(=O)(=O)N2CCC[C@H](c3ncc(C)s3)C2)c1C
InChIInChI=1S/C15H22N4O2S2/c1-4-19-12(3)14(9-17-19)23(20,21)18-7-5-6-13(10-18)15-16-8-11(2)22-15/h8-9,13H,4-7,10H2,1-3H3/t13-/m0/s1
InChIKeyXQRHGUNEFCPPKB-ZDUSSCGKSA-N
XLogP2.54
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole
CID 124966701
2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole
CID 124997319
(3R)-N,N-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide
CID 125012811
(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124955557
(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 124997607
(3R,4S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-propylpyrrolidin-3-amine
CID 72850934
2-ethyl-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidine
CID 19682814
1-(2-adamantyl)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine
CID 22202160
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine
CID 70733113
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 17025161
3-(2-methylpyrazol-3-yl)-1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124959320
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125009546

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole (CID 125018683) is 2-[(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole is CCn1ncc(S(=O)(=O)N2CCC[C@H](c3ncc(C)s3)C2)c1C.
What is the InChIKey of 2-[(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole?
The InChIKey is XQRHGUNEFCPPKB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O2S2/c1-4-19-12(3)14(9-17-19)23(20,21)18-7-5-6-13(10-18)15-16-8-11(2)22-15/h8-9,13H,4-7,10H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-[(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole?
2-[(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole has a molecular weight of 354.50 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 125018683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).