2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide

C14H17N3O2S — CID 22320712

IUPAC2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)(C)N(O)c1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C14H17N3O2S/c1-14(2,3)17(19)11-7-5-4-6-10(11)12(18)16-13-15-8-9-20-13/h4-9,19H,1-3H3,(H,15,16,18)
InChIKeyJTODWFAWPCPLTF-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.39
Rot. Bonds3

About 2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide

2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 22320712) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID22320712
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)(C)N(O)c1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C14H17N3O2S/c1-14(2,3)17(19)11-7-5-4-6-10(11)12(18)16-13-15-8-9-20-13/h4-9,19H,1-3H3,(H,15,16,18)
InChIKeyJTODWFAWPCPLTF-UHFFFAOYSA-N
XLogP3.39
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-2-yl)benzamide
CID 110464702
2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295168
2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 63107522
2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
N-(1,3-thiazol-2-yl)phenazine-1-carboxamide
CID 3713587
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
[2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate
CID 90933824
3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 143922390
[2-(2-carbamoylphenyl)-3-(1,3-thiazol-2-ylcarbamoyl)phenyl]boronic acid
CID 87176257
N-tert-butyl-2-chloro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 3683934
2-[[2-(4-tert-butylphenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361130

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide (CID 22320712) is 2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide is CC(C)(C)N(O)c1ccccc1C(=O)Nc1nccs1.
What is the InChIKey of 2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is JTODWFAWPCPLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-14(2,3)17(19)11-7-5-4-6-10(11)12(18)16-13-15-8-9-20-13/h4-9,19H,1-3H3,(H,15,16,18).
What are the key properties of 2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide?
2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 291.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 22320712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).