N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C17H19N5O2S — CID 51123615

IUPACN-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)Cc3c(C)nn(C)c3C)cc2s1
InChIInChI=1S/C17H19N5O2S/c1-9-13(10(2)22(4)21-9)8-16(24)19-12-5-6-14-15(7-12)25-17(20-14)18-11(3)23/h5-7H,8H2,1-4H3,(H,19,24)(H,18,20,23)
InChIKeyWWNNENUOZAMHSC-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.79
Rot. Bonds4

About N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 51123615) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID51123615
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)Cc3c(C)nn(C)c3C)cc2s1
InChIInChI=1S/C17H19N5O2S/c1-9-13(10(2)22(4)21-9)8-16(24)19-12-5-6-14-15(7-12)25-17(20-14)18-11(3)23/h5-7H,8H2,1-4H3,(H,19,24)(H,18,20,23)
InChIKeyWWNNENUOZAMHSC-UHFFFAOYSA-N
XLogP2.79
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide with MolForge

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Related Compounds

N-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 51090475
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 25481432
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 46289672
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168521756
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
2-chloro-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 119164233
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 43350860
2-methyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 119240253
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 24627882
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55477153
N-(6-acetamido-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839281

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 51123615) is N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is CC(=O)Nc1nc2ccc(NC(=O)Cc3c(C)nn(C)c3C)cc2s1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is WWNNENUOZAMHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-9-13(10(2)22(4)21-9)8-16(24)19-12-5-6-14-15(7-12)25-17(20-14)18-11(3)23/h5-7H,8H2,1-4H3,(H,19,24)(H,18,20,23).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 51123615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).