2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide

C9H13N3O2S — CID 135399096

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide
SMILESCC(C)(C)c1csc(C(=NO)C(N)=O)n1
InChIInChI=1S/C9H13N3O2S/c1-9(2,3)5-4-15-8(11-5)6(12-14)7(10)13/h4,14H,1-3H3,(H2,10,13)
InChIKeyVFSXWADOIYVJJI-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.10
Rot. Bonds2

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide

2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide (PubChem CID 135399096) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide
PubChem CID135399096
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide
SMILESCC(C)(C)c1csc(C(=NO)C(N)=O)n1
InChIInChI=1S/C9H13N3O2S/c1-9(2,3)5-4-15-8(11-5)6(12-14)7(10)13/h4,14H,1-3H3,(H2,10,13)
InChIKeyVFSXWADOIYVJJI-UHFFFAOYSA-N
XLogP1.10
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 135436049
2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide;silver
CID 135519768
ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate
CID 21075145
(4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone
CID 143011801
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80618012
4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116550750
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116551747
1-[2-(aminomethyl)cyclohexyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
CID 116584612
(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 78973521
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 90824816
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanedioic acid
CID 116868102
6-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylhexanamide
CID 65292225

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide (CID 135399096) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide is CC(C)(C)c1csc(C(=NO)C(N)=O)n1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide?
The InChIKey is VFSXWADOIYVJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-9(2,3)5-4-15-8(11-5)6(12-14)7(10)13/h4,14H,1-3H3,(H2,10,13).
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide?
2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide has a molecular weight of 227.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyiminoacetamide is sourced from PubChem (CID 135399096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).