N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide

C15H16N4O2S — CID 43989583

IUPACN-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCCc1cccc2sc(NC(=O)c3cn(C)nc3OC)nc12
InChIInChI=1S/C15H16N4O2S/c1-4-9-6-5-7-11-12(9)16-15(22-11)17-13(20)10-8-19(2)18-14(10)21-3/h5-8H,4H2,1-3H3,(H,16,17,20)
InChIKeyGPZNUBCYCIRQET-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.85
Rot. Bonds4

About N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide

N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 43989583) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID43989583
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCCc1cccc2sc(NC(=O)c3cn(C)nc3OC)nc12
InChIInChI=1S/C15H16N4O2S/c1-4-9-6-5-7-11-12(9)16-15(22-11)17-13(20)10-8-19(2)18-14(10)21-3/h5-8H,4H2,1-3H3,(H,16,17,20)
InChIKeyGPZNUBCYCIRQET-UHFFFAOYSA-N
XLogP2.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-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

3-methoxy-1-methyl-N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121091957
N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 7189824
N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 7295135
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7202698
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 121080923
(4-ethyl-1,3-benzothiazol-2-yl)thiourea
CID 30032212
3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 7202745
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-phenoxybenzamide
CID 41235427
3-(2,4-difluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 86948039
3-methoxy-1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)pyrazole-4-carboxamide
CID 45497408
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 41235420

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide (CID 43989583) is N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide is CCc1cccc2sc(NC(=O)c3cn(C)nc3OC)nc12.
What is the InChIKey of N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is GPZNUBCYCIRQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-4-9-6-5-7-11-12(9)16-15(22-11)17-13(20)10-8-19(2)18-14(10)21-3/h5-8H,4H2,1-3H3,(H,16,17,20).
What are the key properties of N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide?
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 43989583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).