N-(2-acetamido-1,3-benzothiazol-6-yl)-1-tert-butylpyrazole-4-carboxamide

C17H19N5O2S — CID 51123617

IUPACN-(2-acetamido-1,3-benzothiazol-6-yl)-1-tert-butylpyrazole-4-carboxamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)c3cnn(C(C)(C)C)c3)cc2s1
InChIInChI=1S/C17H19N5O2S/c1-10(23)19-16-21-13-6-5-12(7-14(13)25-16)20-15(24)11-8-18-22(9-11)17(2,3)4/h5-9H,1-4H3,(H,20,24)(H,19,21,23)
InChIKeyYONFLIOVPLKYGG-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.46
Rot. Bonds3

About N-(2-acetamido-1,3-benzothiazol-6-yl)-1-tert-butylpyrazole-4-carboxamide

N-(2-acetamido-1,3-benzothiazol-6-yl)-1-tert-butylpyrazole-4-carboxamide (PubChem CID 51123617) 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)-1-tert-butylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-6-yl)-1-tert-butylpyrazole-4-carboxamide
PubChem CID51123617
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-(2-acetamido-1,3-benzothiazol-6-yl)-1-tert-butylpyrazole-4-carboxamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)c3cnn(C(C)(C)C)c3)cc2s1
InChIInChI=1S/C17H19N5O2S/c1-10(23)19-16-21-13-6-5-12(7-14(13)25-16)20-15(24)11-8-18-22(9-11)17(2,3)4/h5-9H,1-4H3,(H,20,24)(H,19,21,23)
InChIKeyYONFLIOVPLKYGG-UHFFFAOYSA-N
XLogP3.46
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
CID 952086
N-(2-acetamido-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 1120822
N-(2-acetamido-1,3-benzothiazol-6-yl)-1-tert-butyl-5-propan-2-ylpyrazole-3-carboxamide
CID 55970236
N-(4-acetamidophenyl)-2-(pyridin-4-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117086862
2-acetamido-1,3-benzothiazole-6-carboxamide
CID 816956
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 55768753
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide
CID 55769726
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
N-(2-acetamido-1,3-benzothiazol-6-yl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 5068246
N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
CID 4025738
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-1-tert-butylpyrazole-4-carboxamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-1-tert-butylpyrazole-4-carboxamide (CID 51123617) is N-(2-acetamido-1,3-benzothiazol-6-yl)-1-tert-butylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-6-yl)-1-tert-butylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-6-yl)-1-tert-butylpyrazole-4-carboxamide is CC(=O)Nc1nc2ccc(NC(=O)c3cnn(C(C)(C)C)c3)cc2s1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-6-yl)-1-tert-butylpyrazole-4-carboxamide?
The InChIKey is YONFLIOVPLKYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-10(23)19-16-21-13-6-5-12(7-14(13)25-16)20-15(24)11-8-18-22(9-11)17(2,3)4/h5-9H,1-4H3,(H,20,24)(H,19,21,23).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-6-yl)-1-tert-butylpyrazole-4-carboxamide?
N-(2-acetamido-1,3-benzothiazol-6-yl)-1-tert-butylpyrazole-4-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 3.46, 3 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)-1-tert-butylpyrazole-4-carboxamide is sourced from PubChem (CID 51123617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).