N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide

C17H20N4OS — CID 24674354

IUPACN-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(C)C(C)c2nc3ccccc3s2)n[nH]1
InChIInChI=1S/C17H20N4OS/c1-4-7-12-10-14(20-19-12)17(22)21(3)11(2)16-18-13-8-5-6-9-15(13)23-16/h5-6,8-11H,4,7H2,1-3H3,(H,19,20)
InChIKeyNBUGALROSRXNBC-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.81
Rot. Bonds5

About N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide

N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 24674354) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID24674354
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(C)C(C)c2nc3ccccc3s2)n[nH]1
InChIInChI=1S/C17H20N4OS/c1-4-7-12-10-14(20-19-12)17(22)21(3)11(2)16-18-13-8-5-6-9-15(13)23-16/h5-6,8-11H,4,7H2,1-3H3,(H,19,20)
InChIKeyNBUGALROSRXNBC-UHFFFAOYSA-N
XLogP3.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-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

N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methylnaphthalene-2-carboxamide
CID 8820294
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3,4-dichloro-N-methylbenzamide
CID 8820373
N-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 24675406
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 9469273
N-[1-(1,3-benzothiazol-2-yl)ethyl]-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 112807167
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-methoxy-N-methylnaphthalene-2-carboxamide
CID 9406136
5-[1-(1,3-benzothiazol-2-yl)ethyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822544
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide
CID 24503789
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3,5-dichloro-4-methoxy-N-methylbenzamide
CID 9469563
1-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(3-ethoxypropyl)-1-methylurea
CID 94515003
3-[[1-(1,3-benzothiazol-2-yl)ethyl-methylcarbamoyl]amino]propanoic acid
CID 122019319
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(2-propoxyphenoxy)acetamide
CID 9468803

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide (CID 24674354) is N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)N(C)C(C)c2nc3ccccc3s2)n[nH]1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is NBUGALROSRXNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-4-7-12-10-14(20-19-12)17(22)21(3)11(2)16-18-13-8-5-6-9-15(13)23-16/h5-6,8-11H,4,7H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide?
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 24674354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).