N-[5-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-thiazol-2-yl]acetamide

C13H11N3O3S — CID 86595596

IUPACN-[5-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(/C=C\c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C13H11N3O3S/c1-9(17)15-13-14-8-12(20-13)7-4-10-2-5-11(6-3-10)16(18)19/h2-8H,1H3,(H,14,15,17)/b7-4-
InChIKeyCYCAXRDCEGMGLG-DAXSKMNVSA-N
MW289.32 g/mol
LogP3.18
Rot. Bonds4

About N-[5-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-thiazol-2-yl]acetamide

N-[5-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 86595596) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[5-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID86595596
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC NameN-[5-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(/C=C\c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C13H11N3O3S/c1-9(17)15-13-14-8-12(20-13)7-4-10-2-5-11(6-3-10)16(18)19/h2-8H,1H3,(H,14,15,17)/b7-4-
InChIKeyCYCAXRDCEGMGLG-DAXSKMNVSA-N
XLogP3.18
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide
CID 139794873
N-[5-(morpholin-4-ylmethyl)-4-[2-(4-nitrophenyl)ethenyl]-1,3-thiazol-2-yl]acetamide
CID 91007536
5-[(E)-2-(4-nitrophenyl)ethenyl]-N-(4-piperidin-4-ylsulfinylphenyl)-1,3-thiazol-2-amine
CID 89362474
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 4048163
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
CID 2927694
[4-[[2-acetamido-4-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-thiazol-5-yl]methyl]phenyl]methanesulfinic acid
CID 175246160
N-[4-[2-(4-nitrophenyl)ethenyl]-5-[(3-oxopiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 91227231
4,10-bis[(E)-2-(4-nitrophenyl)ethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 101114775
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
trimethyl-[(E)-2-(4-nitrophenyl)ethenyl]silane
CID 13196779
(E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
CID 6085357

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-thiazol-2-yl]acetamide (CID 86595596) is N-[5-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(/C=C\c2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of N-[5-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CYCAXRDCEGMGLG-DAXSKMNVSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-9(17)15-13-14-8-12(20-13)7-4-10-2-5-11(6-3-10)16(18)19/h2-8H,1H3,(H,14,15,17)/b7-4-.
What are the key properties of N-[5-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 289.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86595596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).