N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C16H17N5O2S — CID 24509256

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cn2nnc3ccccc3c2=O)n1
InChIInChI=1S/C16H17N5O2S/c1-16(2,3)12-9-24-15(17-12)18-13(22)8-21-14(23)10-6-4-5-7-11(10)19-20-21/h4-7,9H,8H2,1-3H3,(H,17,18,22)
InChIKeyCJQIWPHCDDPBGJ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.18
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 24509256) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID24509256
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cn2nnc3ccccc3c2=O)n1
InChIInChI=1S/C16H17N5O2S/c1-16(2,3)12-9-24-15(17-12)18-13(22)8-21-14(23)10-6-4-5-7-11(10)19-20-21/h4-7,9H,8H2,1-3H3,(H,17,18,22)
InChIKeyCJQIWPHCDDPBGJ-UHFFFAOYSA-N
XLogP2.18
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 5300248
methyl 2-[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 38985459
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 17017854
N-(4-tert-butylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7919313
3-(benzotriazol-1-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 855784
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24647730
ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate
CID 51261916
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 1450930
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2714528

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 24509256) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is CC(C)(C)c1csc(NC(=O)Cn2nnc3ccccc3c2=O)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is CJQIWPHCDDPBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-16(2,3)12-9-24-15(17-12)18-13(22)8-21-14(23)10-6-4-5-7-11(10)19-20-21/h4-7,9H,8H2,1-3H3,(H,17,18,22).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 24509256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).