(2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

C17H14N4O4S — CID 8643321

IUPAC(2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H14N4O4S/c1-11(25-14-8-5-9-18-15(14)21(23)24)16(22)20-17-19-13(10-26-17)12-6-3-2-4-7-12/h2-11H,1H3,(H,19,20,22)/t11-/m1/s1
InChIKeyLMCNBNVRQPVBIP-LLVKDONJSA-N
MW370.39 g/mol
LogP3.52
Rot. Bonds6

About (2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

(2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 8643321) has the molecular formula C17H14N4O4S and a molecular weight of 370.39 g/mol. Its IUPAC name is (2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID8643321
Molecular FormulaC17H14N4O4S
Molecular Weight370.39 g/mol
Exact Mass370.07
IUPAC Name(2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H14N4O4S/c1-11(25-14-8-5-9-18-15(14)21(23)24)16(22)20-17-19-13(10-26-17)12-6-3-2-4-7-12/h2-11H,1H3,(H,19,20,22)/t11-/m1/s1
InChIKeyLMCNBNVRQPVBIP-LLVKDONJSA-N
XLogP3.52
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

(2R)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 27968639
2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide
CID 18077545
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-nitrobenzoate
CID 16796710
N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42896008
2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2917163
2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 4192388
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108769760
N-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42974844
2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19197557
(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-methyl-4-nitrobenzoate
CID 7759589

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 8643321) is (2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of (2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is LMCNBNVRQPVBIP-LLVKDONJSA-N. The full InChI is InChI=1S/C17H14N4O4S/c1-11(25-14-8-5-9-18-15(14)21(23)24)16(22)20-17-19-13(10-26-17)12-6-3-2-4-7-12/h2-11H,1H3,(H,19,20,22)/t11-/m1/s1.
What are the key properties of (2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
(2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 370.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 8643321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).