N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-2-methylpyrazole-3-carboxamide

C17H19N5O3S — CID 46911060

IUPACN-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12
InChIInChI=1S/C17H19N5O3S/c1-5-22(10(2)23)11-6-7-13(25-4)14-15(11)26-17(19-14)20-16(24)12-8-9-18-21(12)3/h6-9H,5H2,1-4H3,(H,19,20,24)
InChIKeyCPBGMRFHFZVCLS-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.66
Rot. Bonds5

About N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-2-methylpyrazole-3-carboxamide

N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 46911060) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-2-methylpyrazole-3-carboxamide
PubChem CID46911060
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12
InChIInChI=1S/C17H19N5O3S/c1-5-22(10(2)23)11-6-7-13(25-4)14-15(11)26-17(19-14)20-16(24)12-8-9-18-21(12)3/h6-9H,5H2,1-4H3,(H,19,20,24)
InChIKeyCPBGMRFHFZVCLS-UHFFFAOYSA-N
XLogP2.66
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-2-methylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-2-methylpyrazole-3-carboxamide (CID 46911060) is N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-2-methylpyrazole-3-carboxamide is CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12.
What is the InChIKey of N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is CPBGMRFHFZVCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-5-22(10(2)23)11-6-7-13(25-4)14-15(11)26-17(19-14)20-16(24)12-8-9-18-21(12)3/h6-9H,5H2,1-4H3,(H,19,20,24).
What are the key properties of N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-2-methylpyrazole-3-carboxamide?
N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[acetyl(ethyl)amino]-4-methoxy-1,3-benzothiazol-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 46911060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).