N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide

C15H15N5O3S2 — CID 16672820

IUPACN-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide
SMILESCN1C(=O)SC(CC(=O)Nc2nc3c(s2)CCc2c-3cnn2C)C1=O
InChIInChI=1S/C15H15N5O3S2/c1-19-13(22)10(25-15(19)23)5-11(21)17-14-18-12-7-6-16-20(2)8(7)3-4-9(12)24-14/h6,10H,3-5H2,1-2H3,(H,17,18,21)
InChIKeyNKEQBNOXGCVXCO-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.66
Rot. Bonds3

About N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide

N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 16672820) has the molecular formula C15H15N5O3S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID16672820
Molecular FormulaC15H15N5O3S2
Molecular Weight377.45 g/mol
Exact Mass377.06
IUPAC NameN-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide
SMILESCN1C(=O)SC(CC(=O)Nc2nc3c(s2)CCc2c-3cnn2C)C1=O
InChIInChI=1S/C15H15N5O3S2/c1-19-13(22)10(25-15(19)23)5-11(21)17-14-18-12-7-6-16-20(2)8(7)3-4-9(12)24-14/h6,10H,3-5H2,1-2H3,(H,17,18,21)
InChIKeyNKEQBNOXGCVXCO-UHFFFAOYSA-N
XLogP1.66
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide (CID 16672820) is N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide is CN1C(=O)SC(CC(=O)Nc2nc3c(s2)CCc2c-3cnn2C)C1=O.
What is the InChIKey of N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is NKEQBNOXGCVXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S2/c1-19-13(22)10(25-15(19)23)5-11(21)17-14-18-12-7-6-16-20(2)8(7)3-4-9(12)24-14/h6,10H,3-5H2,1-2H3,(H,17,18,21).
What are the key properties of N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide?
N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 377.45 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 16672820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).