4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole

C16H24N4O2S2 — CID 55733208

IUPAC4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(Cn2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)cs1
InChIInChI=1S/C16H24N4O2S2/c1-4-15-17-14(11-23-15)10-20-13(3)16(12(2)18-20)24(21,22)19-8-6-5-7-9-19/h11H,4-10H2,1-3H3
InChIKeyWJZHUAKUCYFXHT-UHFFFAOYSA-N
MW368.53 g/mol
LogP2.74
Rot. Bonds5

About 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole

4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole (PubChem CID 55733208) has the molecular formula C16H24N4O2S2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole
PubChem CID55733208
Molecular FormulaC16H24N4O2S2
Molecular Weight368.53 g/mol
Exact Mass368.13
IUPAC Name4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(Cn2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)cs1
InChIInChI=1S/C16H24N4O2S2/c1-4-15-17-14(11-23-15)10-20-13(3)16(12(2)18-20)24(21,22)19-8-6-5-7-9-19/h11H,4-10H2,1-3H3
InChIKeyWJZHUAKUCYFXHT-UHFFFAOYSA-N
XLogP2.74
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine
CID 9184151
2-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61484583
[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 55072800
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 54956367
2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 31418875
1-[1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]sulfonylpiperidine
CID 78827823
2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 133272924
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-butan-2-ylbenzamide
CID 53139570
1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-pyridin-4-ylpiperazine
CID 9280783
2-(2-chlorophenyl)-5-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,3,4-oxadiazole
CID 112813640
1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 55481603
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-(3-ethylphenyl)benzamide
CID 53139585

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole?
The IUPAC name of 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole (CID 55733208) is 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole.
What is the SMILES notation for 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole?
The canonical SMILES for 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole is CCc1nc(Cn2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)cs1.
What is the InChIKey of 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole?
The InChIKey is WJZHUAKUCYFXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S2/c1-4-15-17-14(11-23-15)10-20-13(3)16(12(2)18-20)24(21,22)19-8-6-5-7-9-19/h11H,4-10H2,1-3H3.
What are the key properties of 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole?
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole has a molecular weight of 368.53 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole is sourced from PubChem (CID 55733208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).