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

C12H17N5O2S2 — CID 43237138

IUPAC2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-1,3-thiazole
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H17N5O2S2/c1-9-11(10(2)15-14-9)21(18,19)17-6-4-16(5-7-17)12-13-3-8-20-12/h3,8H,4-7H2,1-2H3,(H,14,15)
InChIKeyONNZEQJRUQCWMF-UHFFFAOYSA-N
MW327.44 g/mol
LogP0.99
Rot. Bonds3

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

2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 43237138) has the molecular formula C12H17N5O2S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-1,3-thiazole
PubChem CID43237138
Molecular FormulaC12H17N5O2S2
Molecular Weight327.44 g/mol
Exact Mass327.08
IUPAC Name2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-1,3-thiazole
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H17N5O2S2/c1-9-11(10(2)15-14-9)21(18,19)17-6-4-16(5-7-17)12-13-3-8-20-12/h3,8H,4-7H2,1-2H3,(H,14,15)
InChIKeyONNZEQJRUQCWMF-UHFFFAOYSA-N
XLogP0.99
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-1,3-thiazole (CID 43237138) is 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-1,3-thiazole is Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is ONNZEQJRUQCWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S2/c1-9-11(10(2)15-14-9)21(18,19)17-6-4-16(5-7-17)12-13-3-8-20-12/h3,8H,4-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-1,3-thiazole?
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 327.44 g/mol, XLogP of 0.99, 3 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]-1,3-thiazole is sourced from PubChem (CID 43237138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).