4-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C20H18N4O2S — CID 2354012

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3ccc(-n4nc(C)cc4C)cc3)sc2c1
InChIInChI=1S/C20H18N4O2S/c1-12-10-13(2)24(23-12)15-6-4-14(5-7-15)19(25)22-20-21-17-9-8-16(26-3)11-18(17)27-20/h4-11H,1-3H3,(H,21,22,25)
InChIKeyOKJSWIBYUUFAFM-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.36
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 2354012) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID2354012
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3ccc(-n4nc(C)cc4C)cc3)sc2c1
InChIInChI=1S/C20H18N4O2S/c1-12-10-13(2)24(23-12)15-6-4-14(5-7-15)19(25)22-20-21-17-9-8-16(26-3)11-18(17)27-20/h4-11H,1-3H3,(H,21,22,25)
InChIKeyOKJSWIBYUUFAFM-UHFFFAOYSA-N
XLogP4.36
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
2-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
2-Propenamide, 2-cyano-N-(6-methoxy-2-benzothiazolyl)-3-phenyl-
CID 5469111
3-(6-Methoxy-1,3-benzothiazol-2-YL)-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]urea
CID 20924372
N-(4-{[(6-methoxy-1,3-benzothiazol-2-yl)amino]carbonyl}phenyl)tetrahydrofuran-2-carboxamide
CID 16002341
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 739499
4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 739503

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 2354012) is 4-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(NC(=O)c3ccc(-n4nc(C)cc4C)cc3)sc2c1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is OKJSWIBYUUFAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-12-10-13(2)24(23-12)15-6-4-14(5-7-15)19(25)22-20-21-17-9-8-16(26-3)11-18(17)27-20/h4-11H,1-3H3,(H,21,22,25).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 378.46 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 2354012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).