5-(1,3-benzothiazol-5-yl)-N-benzyl-N-methyl-1H-indazole-3-carboxamide

C23H18N4OS — CID 167992800

IUPAC5-(1,3-benzothiazol-5-yl)-N-benzyl-N-methyl-1H-indazole-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1n[nH]c2ccc(-c3ccc4scnc4c3)cc12
InChIInChI=1S/C23H18N4OS/c1-27(13-15-5-3-2-4-6-15)23(28)22-18-11-16(7-9-19(18)25-26-22)17-8-10-21-20(12-17)24-14-29-21/h2-12,14H,13H2,1H3,(H,25,26)
InChIKeyXHNCULJYVHSVOU-UHFFFAOYSA-N
MW398.49 g/mol
LogP5.11
Rot. Bonds4

About 5-(1,3-benzothiazol-5-yl)-N-benzyl-N-methyl-1H-indazole-3-carboxamide

5-(1,3-benzothiazol-5-yl)-N-benzyl-N-methyl-1H-indazole-3-carboxamide (PubChem CID 167992800) has the molecular formula C23H18N4OS and a molecular weight of 398.49 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-5-yl)-N-benzyl-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-5-yl)-N-benzyl-N-methyl-1H-indazole-3-carboxamide
PubChem CID167992800
Molecular FormulaC23H18N4OS
Molecular Weight398.49 g/mol
Exact Mass398.12
IUPAC Name5-(1,3-benzothiazol-5-yl)-N-benzyl-N-methyl-1H-indazole-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1n[nH]c2ccc(-c3ccc4scnc4c3)cc12
InChIInChI=1S/C23H18N4OS/c1-27(13-15-5-3-2-4-6-15)23(28)22-18-11-16(7-9-19(18)25-26-22)17-8-10-21-20(12-17)24-14-29-21/h2-12,14H,13H2,1H3,(H,25,26)
InChIKeyXHNCULJYVHSVOU-UHFFFAOYSA-N
XLogP5.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 43003333
N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 51162817
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1H-indazole-3-carboxamide
CID 78867975
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-nitro-1H-indazole-3-carboxamide
CID 35412407
3-amino-N-benzyl-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 55114994
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 27856730
N-benzyl-5-nitro-N-propan-2-yl-1H-indazole-3-carboxamide
CID 60550799
N-[(4-bromophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 18111460
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide
CID 134060274
N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide
CID 134060234
N-[(2-chlorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 7537965

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-5-yl)-N-benzyl-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-5-yl)-N-benzyl-N-methyl-1H-indazole-3-carboxamide (CID 167992800) is 5-(1,3-benzothiazol-5-yl)-N-benzyl-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-5-yl)-N-benzyl-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-5-yl)-N-benzyl-N-methyl-1H-indazole-3-carboxamide is CN(Cc1ccccc1)C(=O)c1n[nH]c2ccc(-c3ccc4scnc4c3)cc12.
What is the InChIKey of 5-(1,3-benzothiazol-5-yl)-N-benzyl-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is XHNCULJYVHSVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4OS/c1-27(13-15-5-3-2-4-6-15)23(28)22-18-11-16(7-9-19(18)25-26-22)17-8-10-21-20(12-17)24-14-29-21/h2-12,14H,13H2,1H3,(H,25,26).
What are the key properties of 5-(1,3-benzothiazol-5-yl)-N-benzyl-N-methyl-1H-indazole-3-carboxamide?
5-(1,3-benzothiazol-5-yl)-N-benzyl-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-5-yl)-N-benzyl-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 167992800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).