4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one

C11H14N4O3S3 — CID 60724620

IUPAC4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H14N4O3S3/c1-8-9(20-11(16)13-8)21(17,18)15-5-3-14(4-6-15)10-12-2-7-19-10/h2,7H,3-6H2,1H3,(H,13,16)
InChIKeyADVXPZIHHWXXJY-UHFFFAOYSA-N
MW346.46 g/mol
LogP0.71
Rot. Bonds3

About 4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one

4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one (PubChem CID 60724620) has the molecular formula C11H14N4O3S3 and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
PubChem CID60724620
Molecular FormulaC11H14N4O3S3
Molecular Weight346.46 g/mol
Exact Mass346.02
IUPAC Name4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H14N4O3S3/c1-8-9(20-11(16)13-8)21(17,18)15-5-3-14(4-6-15)10-12-2-7-19-10/h2,7H,3-6H2,1H3,(H,13,16)
InChIKeyADVXPZIHHWXXJY-UHFFFAOYSA-N
XLogP0.71
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one (CID 60724620) is 4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?
The InChIKey is ADVXPZIHHWXXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S3/c1-8-9(20-11(16)13-8)21(17,18)15-5-3-14(4-6-15)10-12-2-7-19-10/h2,7H,3-6H2,1H3,(H,13,16).
What are the key properties of 4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one?
4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one has a molecular weight of 346.46 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 60724620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).