2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-(4-fluorophenyl)-1,3-thiazole

C19H22FN5O2S2 — CID 30868690

IUPAC2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C19H22FN5O2S2/c1-13-19(14(2)23-22-13)29(26,27)25-9-7-24(8-10-25)11-18-21-17(12-28-18)15-3-5-16(20)6-4-15/h3-6,12H,7-11H2,1-2H3,(H,22,23)
InChIKeyOSLRQYAYGFBEOH-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.80
Rot. Bonds5

About 2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-(4-fluorophenyl)-1,3-thiazole

2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-(4-fluorophenyl)-1,3-thiazole (PubChem CID 30868690) has the molecular formula C19H22FN5O2S2 and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-(4-fluorophenyl)-1,3-thiazole
PubChem CID30868690
Molecular FormulaC19H22FN5O2S2
Molecular Weight435.55 g/mol
Exact Mass435.12
IUPAC Name2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C19H22FN5O2S2/c1-13-19(14(2)23-22-13)29(26,27)25-9-7-24(8-10-25)11-18-21-17(12-28-18)15-3-5-16(20)6-4-15/h3-6,12H,7-11H2,1-2H3,(H,22,23)
InChIKeyOSLRQYAYGFBEOH-UHFFFAOYSA-N
XLogP2.80
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[3-(3,4-Difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-4-ethyl-2-methyl-1,3-thiazole
CID 56751406
US9156811, Ddd71278
CID 57400516
4-[2-(2,4-Difluorophenyl)sulfonylpyrazol-3-yl]-2-phenyl-1,3-thiazole
CID 2744796
2-((4-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperazin-1-yl)methyl)-4-(thiophen-2-yl)thiazole
CID 30868768
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947506
1-Benzyl-4-{[5-(3,4-dimethyl-1H-pyrazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20947565
1-{[5-(3,4-Dimethyl-1H-pyrazol-5-YL)thiophen-2-YL]sulfonyl}-4-(4-fluorophenyl)piperazine
CID 20947579
3-(3-fluorophenyl)-5-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 26391289
1-{[2,5-Dimethyl-4-(3-methyl-1H-pyrazol-5-YL)thiophen-3-YL]sulfonyl}-4-(2-fluorophenyl)piperazine
CID 50842626
1-{[4-(3,4-Dimethyl-1H-pyrazol-5-YL)-2,5-dimethylthiophen-3-YL]sulfonyl}-4-(2-fluorophenyl)piperazine
CID 50842715
N-(2-(2-(2-fluorophenyl)thiazol-4-yl)phenyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 76150651
4-[1-[(4-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 177663790

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-(4-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-(4-fluorophenyl)-1,3-thiazole (CID 30868690) is 2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-(4-fluorophenyl)-1,3-thiazole is Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of 2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is OSLRQYAYGFBEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2S2/c1-13-19(14(2)23-22-13)29(26,27)25-9-7-24(8-10-25)11-18-21-17(12-28-18)15-3-5-16(20)6-4-15/h3-6,12H,7-11H2,1-2H3,(H,22,23).
What are the key properties of 2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-(4-fluorophenyl)-1,3-thiazole?
2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 435.55 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methyl]-4-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 30868690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).