4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitroaniline;hydrochloride

C11H11ClN4O2S — CID 3076284

IUPAC4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitroaniline;hydrochloride
SMILESCl.Nc1ccc(C2=CSC3=NCCN23)cc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O2S.ClH/c12-8-2-1-7(5-9(8)15(16)17)10-6-18-11-13-3-4-14(10)11;/h1-2,5-6H,3-4,12H2;1H
InChIKeyXDVGPZMHDGFYSA-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.32
Rot. Bonds2

About 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitroaniline;hydrochloride

4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitroaniline;hydrochloride (PubChem CID 3076284) has the molecular formula C11H11ClN4O2S and a molecular weight of 298.75 g/mol. Its IUPAC name is 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitroaniline;hydrochloride.

Molecular Properties

Compound Name4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitroaniline;hydrochloride
PubChem CID3076284
Molecular FormulaC11H11ClN4O2S
Molecular Weight298.75 g/mol
Exact Mass298.03
IUPAC Name4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitroaniline;hydrochloride
SMILESCl.Nc1ccc(C2=CSC3=NCCN23)cc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O2S.ClH/c12-8-2-1-7(5-9(8)15(16)17)10-6-18-11-13-3-4-14(10)11;/h1-2,5-6H,3-4,12H2;1H
InChIKeyXDVGPZMHDGFYSA-UHFFFAOYSA-N
XLogP2.32
TPSA84.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1H-Imidazole, 4,5-dihydro-2-(((4-nitrophenyl)methyl)thio)-, monohydrobromide
CID 2936405
Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(4-nitrophenyl)-
CID 202108
3-{4-Nitrophenyl}-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 11841693
7H-Imidazo(2,1-b)thiazol-4-ium, 5,6-dihydro-3-(p-nitrophenyl)-, bromide
CID 202107
Nitramisole Hydrochloride
CID 163305
Nitramisole
CID 163306
2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 437646
Acetamide, (4-(5,6-dihydroimidazo(2,1-b)thiazol-3-yl)-2-nitrophenyl)-, monohydrochloride
CID 3074657
3-Allyl-4-(4-nitrophenyl)thiazol-2-imine
CID 387332
3-(4-Nitrophenyl)-5,6-dihydro-7H-thiazolo(3,2-A)pyrimidine
CID 3259702
2-[(m-Nitrophenyl)methylthio]-2-imidazoline
CID 16362746
N-[4-(5,6-Dihydroimidazo[2,1-b]thiazol-3-yl)-2-nitrophenyl]acetamide
CID 536150

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitroaniline;hydrochloride?
The IUPAC name of 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitroaniline;hydrochloride (CID 3076284) is 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitroaniline;hydrochloride.
What is the SMILES notation for 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitroaniline;hydrochloride?
The canonical SMILES for 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitroaniline;hydrochloride is Cl.Nc1ccc(C2=CSC3=NCCN23)cc1[N+](=O)[O-].
What is the InChIKey of 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitroaniline;hydrochloride?
The InChIKey is XDVGPZMHDGFYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S.ClH/c12-8-2-1-7(5-9(8)15(16)17)10-6-18-11-13-3-4-14(10)11;/h1-2,5-6H,3-4,12H2;1H.
What are the key properties of 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitroaniline;hydrochloride?
4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitroaniline;hydrochloride has a molecular weight of 298.75 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitroaniline;hydrochloride is sourced from PubChem (CID 3076284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).