N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

C17H20N4O2S — CID 71983669

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(=O)sc3ccccc32)n(C(C)(C)C)n1
InChIInChI=1S/C17H20N4O2S/c1-11-9-14(21(19-11)17(2,3)4)18-15(22)10-20-12-7-5-6-8-13(12)24-16(20)23/h5-9H,10H2,1-4H3,(H,18,22)
InChIKeyLNRLFJQYHAGMRI-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.96
Rot. Bonds3

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (PubChem CID 71983669) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
PubChem CID71983669
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2c(=O)sc3ccccc32)n(C(C)(C)C)n1
InChIInChI=1S/C17H20N4O2S/c1-11-9-14(21(19-11)17(2,3)4)18-15(22)10-20-12-7-5-6-8-13(12)24-16(20)23/h5-9H,10H2,1-4H3,(H,18,22)
InChIKeyLNRLFJQYHAGMRI-UHFFFAOYSA-N
XLogP2.96
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,6-dimethyl-2-pyridinyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 10567177
2-(2-oxo-1,3-benzothiazol-3-yl)-N-phenylacetamide
CID 705122
2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide
CID 22423087
N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 1081529
methyl 4-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]benzoate
CID 22423105
N-(2,4-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 1096308
N-(2,4-dichlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 990869
N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 752445
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide
CID 120762117
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 644429
2-(2-oxo-1,3-benzothiazol-3-yl)-N-piperidin-1-ylacetamide
CID 14221224
ethyl N-(2-tert-butyl-5-methylpyrazol-3-yl)carbamate
CID 110470603

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (CID 71983669) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2c(=O)sc3ccccc32)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The InChIKey is LNRLFJQYHAGMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-9-14(21(19-11)17(2,3)4)18-15(22)10-20-12-7-5-6-8-13(12)24-16(20)23/h5-9H,10H2,1-4H3,(H,18,22).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide has a molecular weight of 344.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 71983669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).