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

C19H16N4OS — CID 2354013

IUPACN-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)n1
InChIInChI=1S/C19H16N4OS/c1-12-11-13(2)23(22-12)15-9-7-14(8-10-15)18(24)21-19-20-16-5-3-4-6-17(16)25-19/h3-11H,1-2H3,(H,20,21,24)
InChIKeyXIUISTOCRLGXEP-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.35
Rot. Bonds3

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

N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 2354013) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID2354013
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)n1
InChIInChI=1S/C19H16N4OS/c1-12-11-13(2)23(22-12)15-9-7-14(8-10-15)18(24)21-19-20-16-5-3-4-6-17(16)25-19/h3-11H,1-2H3,(H,20,21,24)
InChIKeyXIUISTOCRLGXEP-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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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 2354013) is N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)n1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is XIUISTOCRLGXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-12-11-13(2)23(22-12)15-9-7-14(8-10-15)18(24)21-19-20-16-5-3-4-6-17(16)25-19/h3-11H,1-2H3,(H,20,21,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-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-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 2354013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).