3-hydroxy-4-nitro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

C15H17N3O4S — CID 84595268

IUPAC3-hydroxy-4-nitro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(C)N(CCc1nccs1)C(=O)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C15H17N3O4S/c1-10(2)17(7-5-14-16-6-8-23-14)15(20)11-3-4-12(18(21)22)13(19)9-11/h3-4,6,8-10,19H,5,7H2,1-2H3
InChIKeyCONPRQGWCGPFJS-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.85
Rot. Bonds6

About 3-hydroxy-4-nitro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

3-hydroxy-4-nitro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 84595268) has the molecular formula C15H17N3O4S and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-hydroxy-4-nitro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-nitro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID84595268
Molecular FormulaC15H17N3O4S
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC Name3-hydroxy-4-nitro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(C)N(CCc1nccs1)C(=O)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C15H17N3O4S/c1-10(2)17(7-5-14-16-6-8-23-14)15(20)11-3-4-12(18(21)22)13(19)9-11/h3-4,6,8-10,19H,5,7H2,1-2H3
InChIKeyCONPRQGWCGPFJS-UHFFFAOYSA-N
XLogP2.85
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 102741649
3-N-propan-2-yl-1-N-propyl-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-dicarboxamide
CID 75388517
N-(2-hydroxyethyl)-3-methyl-4-nitro-N-propan-2-ylbenzamide
CID 43573129
N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide
CID 102741640
3-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 103712023
3-hydroxy-N-methyl-4-nitro-N-propylbenzamide
CID 113228241
3-hydroxy-N-methyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 18114264
4-[propan-2-yl-[2-(1,3-thiazol-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674566
4-nitro-3-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 82784103
3-hydroxy-N-methyl-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 71975319
3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 110715983
3-chloro-N-(2-methylpropyl)-4-nitro-N-propan-2-ylbenzamide
CID 82780952

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-nitro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-hydroxy-4-nitro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 84595268) is 3-hydroxy-4-nitro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-nitro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-hydroxy-4-nitro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is CC(C)N(CCc1nccs1)C(=O)c1ccc([N+](=O)[O-])c(O)c1.
What is the InChIKey of 3-hydroxy-4-nitro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is CONPRQGWCGPFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-10(2)17(7-5-14-16-6-8-23-14)15(20)11-3-4-12(18(21)22)13(19)9-11/h3-4,6,8-10,19H,5,7H2,1-2H3.
What are the key properties of 3-hydroxy-4-nitro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
3-hydroxy-4-nitro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 335.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-nitro-N-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 84595268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).