2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-(1-propylpyrazol-4-yl)phenol

C14H18N4O3S — CID 141204872

IUPAC2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-(1-propylpyrazol-4-yl)phenol
SMILESCCCn1cc(-c2ccc(O)c(N3CCNS3(=O)=O)c2)cn1
InChIInChI=1S/C14H18N4O3S/c1-2-6-17-10-12(9-15-17)11-3-4-14(19)13(8-11)18-7-5-16-22(18,20)21/h3-4,8-10,16,19H,2,5-7H2,1H3
InChIKeyNRMYHZCFMLPIJT-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.32
Rot. Bonds4

About 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-(1-propylpyrazol-4-yl)phenol

2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-(1-propylpyrazol-4-yl)phenol (PubChem CID 141204872) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-(1-propylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-(1-propylpyrazol-4-yl)phenol
PubChem CID141204872
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-(1-propylpyrazol-4-yl)phenol
SMILESCCCn1cc(-c2ccc(O)c(N3CCNS3(=O)=O)c2)cn1
InChIInChI=1S/C14H18N4O3S/c1-2-6-17-10-12(9-15-17)11-3-4-14(19)13(8-11)18-7-5-16-22(18,20)21/h3-4,8-10,16,19H,2,5-7H2,1H3
InChIKeyNRMYHZCFMLPIJT-UHFFFAOYSA-N
XLogP1.32
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-(1-propylpyrazol-4-yl)phenol?
The IUPAC name of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-(1-propylpyrazol-4-yl)phenol (CID 141204872) is 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-(1-propylpyrazol-4-yl)phenol.
What is the SMILES notation for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-(1-propylpyrazol-4-yl)phenol?
The canonical SMILES for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-(1-propylpyrazol-4-yl)phenol is CCCn1cc(-c2ccc(O)c(N3CCNS3(=O)=O)c2)cn1.
What is the InChIKey of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-(1-propylpyrazol-4-yl)phenol?
The InChIKey is NRMYHZCFMLPIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-2-6-17-10-12(9-15-17)11-3-4-14(19)13(8-11)18-7-5-16-22(18,20)21/h3-4,8-10,16,19H,2,5-7H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-(1-propylpyrazol-4-yl)phenol?
2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-(1-propylpyrazol-4-yl)phenol has a molecular weight of 322.39 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-4-(1-propylpyrazol-4-yl)phenol is sourced from PubChem (CID 141204872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).