4-[4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol

C13H15N3O3S2 — CID 66582646

IUPAC4-[4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol
SMILESO=S(=O)(c1nccs1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C13H15N3O3S2/c17-12-3-1-11(2-4-12)15-6-8-16(9-7-15)21(18,19)13-14-5-10-20-13/h1-5,10,17H,6-9H2
InChIKeyQYATYEYKHINQQV-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.36
Rot. Bonds3

About 4-[4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol

4-[4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol (PubChem CID 66582646) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol
PubChem CID66582646
Molecular FormulaC13H15N3O3S2
Molecular Weight325.41 g/mol
Exact Mass325.06
IUPAC Name4-[4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol
SMILESO=S(=O)(c1nccs1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C13H15N3O3S2/c17-12-3-1-11(2-4-12)15-6-8-16(9-7-15)21(18,19)13-14-5-10-20-13/h1-5,10,17H,6-9H2
InChIKeyQYATYEYKHINQQV-UHFFFAOYSA-N
XLogP1.36
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol (CID 66582646) is 4-[4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol is O=S(=O)(c1nccs1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol?
The InChIKey is QYATYEYKHINQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c17-12-3-1-11(2-4-12)15-6-8-16(9-7-15)21(18,19)13-14-5-10-20-13/h1-5,10,17H,6-9H2.
What are the key properties of 4-[4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol?
4-[4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol has a molecular weight of 325.41 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol is sourced from PubChem (CID 66582646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).