1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-5-propan-2-ylpyrazole-3-carboxamide

C17H20N4O2S — CID 16844563

IUPAC1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-5-propan-2-ylpyrazole-3-carboxamide
SMILESCOCCNC(=O)c1cc(C(C)C)n(-c2nc3ccccc3s2)n1
InChIInChI=1S/C17H20N4O2S/c1-11(2)14-10-13(16(22)18-8-9-23-3)20-21(14)17-19-12-6-4-5-7-15(12)24-17/h4-7,10-11H,8-9H2,1-3H3,(H,18,22)
InChIKeyHPEFHQZSBBJJDB-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.98
Rot. Bonds6

About 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-5-propan-2-ylpyrazole-3-carboxamide

1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 16844563) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID16844563
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-5-propan-2-ylpyrazole-3-carboxamide
SMILESCOCCNC(=O)c1cc(C(C)C)n(-c2nc3ccccc3s2)n1
InChIInChI=1S/C17H20N4O2S/c1-11(2)14-10-13(16(22)18-8-9-23-3)20-21(14)17-19-12-6-4-5-7-15(12)24-17/h4-7,10-11H,8-9H2,1-3H3,(H,18,22)
InChIKeyHPEFHQZSBBJJDB-UHFFFAOYSA-N
XLogP2.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-5-propan-2-ylpyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738
1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 90609959
N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 44753805
1-(1,3-benzothiazol-2-yl)-N-cyclohexyl-5-phenylpyrazole-3-carboxamide
CID 17039148
N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55752794
3-(1,3-benzothiazol-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 24542870
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 51207918
1-[1-(1,3-benzothiazol-2-yl)-3-methylsulfanylpropyl]-3-(2-methoxyethyl)urea
CID 17404835
N-(2-methoxyethyl)-6-(4-oxo-1,3-benzothiazin-2-yl)pyridine-2-carboxamide
CID 59750369
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766
2-(1,3-benzothiazol-2-ylamino)-5-methoxypentanoic acid
CID 81078689
methyl (2S)-2-(1,3-benzothiazol-2-ylamino)propanoate
CID 6991162

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-5-propan-2-ylpyrazole-3-carboxamide (CID 16844563) is 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-5-propan-2-ylpyrazole-3-carboxamide is COCCNC(=O)c1cc(C(C)C)n(-c2nc3ccccc3s2)n1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is HPEFHQZSBBJJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11(2)14-10-13(16(22)18-8-9-23-3)20-21(14)17-19-12-6-4-5-7-15(12)24-17/h4-7,10-11H,8-9H2,1-3H3,(H,18,22).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-5-propan-2-ylpyrazole-3-carboxamide?
1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 16844563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).