N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

C20H18N4OS — CID 155809180

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)n1
InChIInChI=1S/C20H18N4OS/c1-13-11-14(2)24(23-13)12-19(25)21-16-9-7-15(8-10-16)20-22-17-5-3-4-6-18(17)26-20/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyKPQVGEOSFOFOGJ-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.42
Rot. Bonds4

About N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 155809180) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID155809180
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)n1
InChIInChI=1S/C20H18N4OS/c1-13-11-14(2)24(23-13)12-19(25)21-16-9-7-15(8-10-16)20-22-17-5-3-4-6-18(17)26-20/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyKPQVGEOSFOFOGJ-UHFFFAOYSA-N
XLogP4.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 155809180) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)n1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is KPQVGEOSFOFOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-13-11-14(2)24(23-13)12-19(25)21-16-9-7-15(8-10-16)20-22-17-5-3-4-6-18(17)26-20/h3-11H,12H2,1-2H3,(H,21,25).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 362.46 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 155809180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).