4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzene-1,3-diol

C13H15N3O2S — CID 122668656

IUPAC4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzene-1,3-diol
SMILESOc1ccc(-c2csc(N3CCNCC3)n2)c(O)c1
InChIInChI=1S/C13H15N3O2S/c17-9-1-2-10(12(18)7-9)11-8-19-13(15-11)16-5-3-14-4-6-16/h1-2,7-8,14,17-18H,3-6H2
InChIKeyBZRDWJXINOSPNB-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.63
Rot. Bonds2

About 4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzene-1,3-diol

4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzene-1,3-diol (PubChem CID 122668656) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzene-1,3-diol
PubChem CID122668656
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzene-1,3-diol
SMILESOc1ccc(-c2csc(N3CCNCC3)n2)c(O)c1
InChIInChI=1S/C13H15N3O2S/c17-9-1-2-10(12(18)7-9)11-8-19-13(15-11)16-5-3-14-4-6-16/h1-2,7-8,14,17-18H,3-6H2
InChIKeyBZRDWJXINOSPNB-UHFFFAOYSA-N
XLogP1.63
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzene-1,3-diol?
The IUPAC name of 4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzene-1,3-diol (CID 122668656) is 4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzene-1,3-diol?
The canonical SMILES for 4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzene-1,3-diol is Oc1ccc(-c2csc(N3CCNCC3)n2)c(O)c1.
What is the InChIKey of 4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzene-1,3-diol?
The InChIKey is BZRDWJXINOSPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-9-1-2-10(12(18)7-9)11-8-19-13(15-11)16-5-3-14-4-6-16/h1-2,7-8,14,17-18H,3-6H2.
What are the key properties of 4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzene-1,3-diol?
4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzene-1,3-diol has a molecular weight of 277.35 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzene-1,3-diol is sourced from PubChem (CID 122668656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).