N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide

C13H12N4O3S — CID 536150

IUPACN-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=CSC3=NCCN23)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12N4O3S/c1-8(18)15-10-3-2-9(6-11(10)17(19)20)12-7-21-13-14-4-5-16(12)13/h2-3,6-7H,4-5H2,1H3,(H,15,18)
InChIKeyNUXMSMHKEQVIBV-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.27
Rot. Bonds3

About N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide

N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide (PubChem CID 536150) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide
PubChem CID536150
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC NameN-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=CSC3=NCCN23)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12N4O3S/c1-8(18)15-10-3-2-9(6-11(10)17(19)20)12-7-21-13-14-4-5-16(12)13/h2-3,6-7H,4-5H2,1H3,(H,15,18)
InChIKeyNUXMSMHKEQVIBV-UHFFFAOYSA-N
XLogP2.27
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.27
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

N-(2-nitro-4-thiophen-2-ylphenyl)acetamide
CID 110477271
N-(2,3-dimethyl-4-nitrophenyl)acetamide
CID 2931975
N-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-nitrophenyl]acetamide
CID 141498158
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide
CID 14226695
N-[4-[2-(dimethylamino)ethyl-methylamino]-2-nitrophenyl]acetamide
CID 141498125
N-(5-acetyl-2-chlorophenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108800556
3-(2,5-dimethylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
CID 6602926
methyl 3-(4-acetamido-3-nitrophenyl)propanoate
CID 69217638
4-acetamido-3-nitro-N,N-diphenylbenzamide
CID 596922
N-[4-(2-cyanopropan-2-yl)-2-nitrophenyl]acetamide;ethane
CID 164905537
N-(4-chloro-2-nitrophenyl)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 46809826
1-acetyl-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 108804459

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide?
The IUPAC name of N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide (CID 536150) is N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide.
What is the SMILES notation for N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide?
The canonical SMILES for N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide is CC(=O)Nc1ccc(C2=CSC3=NCCN23)cc1[N+](=O)[O-].
What is the InChIKey of N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide?
The InChIKey is NUXMSMHKEQVIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-8(18)15-10-3-2-9(6-11(10)17(19)20)12-7-21-13-14-4-5-16(12)13/h2-3,6-7H,4-5H2,1H3,(H,15,18).
What are the key properties of N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide?
N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide has a molecular weight of 304.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide is sourced from PubChem (CID 536150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).