6-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one

C19H21N3O2S — CID 10832055

IUPAC6-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(CCN3CCN(c4ccccc4O)CC3)cc2s1
InChIInChI=1S/C19H21N3O2S/c23-17-4-2-1-3-16(17)22-11-9-21(10-12-22)8-7-14-5-6-15-18(13-14)25-19(24)20-15/h1-6,13,23H,7-12H2,(H,20,24)
InChIKeyYYHUNNIKFHJFOE-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.66
Rot. Bonds4

About 6-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one

6-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one (PubChem CID 10832055) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 6-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one
PubChem CID10832055
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name6-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(CCN3CCN(c4ccccc4O)CC3)cc2s1
InChIInChI=1S/C19H21N3O2S/c23-17-4-2-1-3-16(17)22-11-9-21(10-12-22)8-7-14-5-6-15-18(13-14)25-19(24)20-15/h1-6,13,23H,7-12H2,(H,20,24)
InChIKeyYYHUNNIKFHJFOE-UHFFFAOYSA-N
XLogP2.66
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one?
The IUPAC name of 6-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one (CID 10832055) is 6-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one?
The canonical SMILES for 6-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one is O=c1[nH]c2ccc(CCN3CCN(c4ccccc4O)CC3)cc2s1.
What is the InChIKey of 6-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one?
The InChIKey is YYHUNNIKFHJFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-17-4-2-1-3-16(17)22-11-9-21(10-12-22)8-7-14-5-6-15-18(13-14)25-19(24)20-15/h1-6,13,23H,7-12H2,(H,20,24).
What are the key properties of 6-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one?
6-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one has a molecular weight of 355.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one is sourced from PubChem (CID 10832055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).