N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide

C22H23N5OS — CID 43987378

IUPACN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc(C)c2sc(N(Cc3ccccn3)C(=O)Cn3nc(C)cc3C)nc2c1
InChIInChI=1S/C22H23N5OS/c1-14-9-15(2)21-19(10-14)24-22(29-21)26(12-18-7-5-6-8-23-18)20(28)13-27-17(4)11-16(3)25-27/h5-11H,12-13H2,1-4H3
InChIKeyOTZWXGFNWHTEKS-UHFFFAOYSA-N
MW405.53 g/mol
LogP4.35
Rot. Bonds5

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 43987378) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID43987378
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc(C)c2sc(N(Cc3ccccn3)C(=O)Cn3nc(C)cc3C)nc2c1
InChIInChI=1S/C22H23N5OS/c1-14-9-15(2)21-19(10-14)24-22(29-21)26(12-18-7-5-6-8-23-18)20(28)13-27-17(4)11-16(3)25-27/h5-11H,12-13H2,1-4H3
InChIKeyOTZWXGFNWHTEKS-UHFFFAOYSA-N
XLogP4.35
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 40519364
2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43987322
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 16848545
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide
CID 43987386
3,5-dichloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43987391
2-bromo-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41056190
4-tert-butyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41056227
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41056200
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41056194
5-bromo-2-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986495
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
CID 41056222
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 41343122

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 43987378) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide is Cc1cc(C)c2sc(N(Cc3ccccn3)C(=O)Cn3nc(C)cc3C)nc2c1.
What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is OTZWXGFNWHTEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-14-9-15(2)21-19(10-14)24-22(29-21)26(12-18-7-5-6-8-23-18)20(28)13-27-17(4)11-16(3)25-27/h5-11H,12-13H2,1-4H3.
What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide?
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 405.53 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 43987378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).