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

C23H24N4O2S — CID 8944534

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)COCc1nc2ccccc2s1
InChIInChI=1S/C23H24N4O2S/c1-16-19(17(2)27(26-16)13-18-8-4-3-5-9-18)12-24-22(28)14-29-15-23-25-20-10-6-7-11-21(20)30-23/h3-11H,12-15H2,1-2H3,(H,24,28)
InChIKeyXXUPGVHFODHALA-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.99
Rot. Bonds8

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

2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 8944534) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide
PubChem CID8944534
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)COCc1nc2ccccc2s1
InChIInChI=1S/C23H24N4O2S/c1-16-19(17(2)27(26-16)13-18-8-4-3-5-9-18)12-24-22(28)14-29-15-23-25-20-10-6-7-11-21(20)30-23/h3-11H,12-15H2,1-2H3,(H,24,28)
InChIKeyXXUPGVHFODHALA-UHFFFAOYSA-N
XLogP3.99
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide with MolForge

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 41439102
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]acetamide
CID 24610569
2-(1,3-benzothiazol-2-ylmethoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24550639
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl] 2-phenylbutanoate
CID 55467846
[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 16578756
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2,4-dimethylphenoxy)acetamide
CID 17499817
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-quinolin-2-ylsulfanylacetamide
CID 41165001
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119694423
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide
CID 43012669
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide
CID 55602671

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide (CID 8944534) is 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COCc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is XXUPGVHFODHALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-16-19(17(2)27(26-16)13-18-8-4-3-5-9-18)12-24-22(28)14-29-15-23-25-20-10-6-7-11-21(20)30-23/h3-11H,12-15H2,1-2H3,(H,24,28).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide?
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 420.54 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 8944534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).