N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-5-yl]benzamide

C19H16N4OS — CID 50882099

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-5-yl]benzamide
SMILESCc1cc(C)n(-c2nc3cc(NC(=O)c4ccccc4)ccc3s2)n1
InChIInChI=1S/C19H16N4OS/c1-12-10-13(2)23(22-12)19-21-16-11-15(8-9-17(16)25-19)20-18(24)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,20,24)
InChIKeyIOVMQCWJFWSKOX-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.35
Rot. Bonds3

About N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-5-yl]benzamide

N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-5-yl]benzamide (PubChem CID 50882099) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-5-yl]benzamide
PubChem CID50882099
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-5-yl]benzamide
SMILESCc1cc(C)n(-c2nc3cc(NC(=O)c4ccccc4)ccc3s2)n1
InChIInChI=1S/C19H16N4OS/c1-12-10-13(2)23(22-12)19-21-16-11-15(8-9-17(16)25-19)20-18(24)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,20,24)
InChIKeyIOVMQCWJFWSKOX-UHFFFAOYSA-N
XLogP4.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-6-yl]butanamide
CID 50882295
N-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23611507
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-5-yl]benzamide
CID 50882100
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]benzamide
CID 95733400
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 134046171
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-(dimethylsulfamoyl)benzamide
CID 27378391
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
CID 86921766
N-(2-methylpyrazolo[1,5-a]pyridin-5-yl)benzamide
CID 153306405
N-[2-(3,5-dimethylpyrazol-1-yl)-5,7-dimethyl-1,3-benzothiazol-6-yl]-4-ethylbenzamide
CID 50880375
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 27378367
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-5-yl]benzamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-5-yl]benzamide (CID 50882099) is N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-5-yl]benzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-5-yl]benzamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-5-yl]benzamide is Cc1cc(C)n(-c2nc3cc(NC(=O)c4ccccc4)ccc3s2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-5-yl]benzamide?
The InChIKey is IOVMQCWJFWSKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-12-10-13(2)23(22-12)19-21-16-11-15(8-9-17(16)25-19)20-18(24)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,20,24).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-5-yl]benzamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-5-yl]benzamide has a molecular weight of 348.43 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-5-yl]benzamide is sourced from PubChem (CID 50882099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).