N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide

C14H14N4OS — CID 30868274

IUPACN-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCC(=O)N(CCn1cccn1)c1nc2ccccc2s1
InChIInChI=1S/C14H14N4OS/c1-11(19)18(10-9-17-8-4-7-15-17)14-16-12-5-2-3-6-13(12)20-14/h2-8H,9-10H2,1H3
InChIKeySKUSPIDLFOVLNP-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.55
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide

N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide (PubChem CID 30868274) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide
PubChem CID30868274
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCC(=O)N(CCn1cccn1)c1nc2ccccc2s1
InChIInChI=1S/C14H14N4OS/c1-11(19)18(10-9-17-8-4-7-15-17)14-16-12-5-2-3-6-13(12)20-14/h2-8H,9-10H2,1H3
InChIKeySKUSPIDLFOVLNP-UHFFFAOYSA-N
XLogP2.55
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide (CID 30868274) is N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide is CC(=O)N(CCn1cccn1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
The InChIKey is SKUSPIDLFOVLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-11(19)18(10-9-17-8-4-7-15-17)14-16-12-5-2-3-6-13(12)20-14/h2-8H,9-10H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide has a molecular weight of 286.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 30868274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).