3-(4-ethoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C13H13N3O3S — CID 715069

IUPAC3-(4-ethoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCOc1ccc(C2=CSC3=NCCN23)cc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O3S/c1-2-19-12-4-3-9(7-10(12)16(17)18)11-8-20-13-14-5-6-15(11)13/h3-4,7-8H,2,5-6H2,1H3
InChIKeyVLJXKBUXWYZMSQ-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.71
Rot. Bonds4

About 3-(4-ethoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-(4-ethoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 715069) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-(4-ethoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(4-ethoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID715069
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name3-(4-ethoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCOc1ccc(C2=CSC3=NCCN23)cc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O3S/c1-2-19-12-4-3-9(7-10(12)16(17)18)11-8-20-13-14-5-6-15(11)13/h3-4,7-8H,2,5-6H2,1H3
InChIKeyVLJXKBUXWYZMSQ-UHFFFAOYSA-N
XLogP2.71
TPSA67.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
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-(3-Nitro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 1557510
3-(4-Butoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b]thiazole
CID 1945075
2-(3-Nitro-4-propoxy-benzylsulfanyl)-4,5-dihydro-1H-imidazole
CID 1597455
3-(4-Ethoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 686784
3-(4-Methoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 720501
2-(3-Nitro-4-pentyloxy-benzylsulfanyl)-4,5-dihydro-1H-imidazole
CID 1605305
2-(4-Butoxy-3-nitro-benzylsulfanyl)-4,5-dihydro-1H-imidazole
CID 12005593
2-(4-Ethoxy-3-nitro-benzylsulfanyl)-4,5-dihydro-1H-imidazole
CID 12005600
Cambridge id 5362573
CID 2843661
Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(3-nitro-4-propoxyphenyl)-, monohydrochloride
CID 3076281
Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(3-nitro-4-(pentyloxy)phenyl)-, monohydrochloride
CID 3076282
2-[(4-ethoxy-3-nitrobenzyl)sulfanyl]-4,5-dihydro-1H-imidazole
CID 748670

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(4-ethoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 715069) is 3-(4-ethoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(4-ethoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(4-ethoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CCOc1ccc(C2=CSC3=NCCN23)cc1[N+](=O)[O-].
What is the InChIKey of 3-(4-ethoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is VLJXKBUXWYZMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-2-19-12-4-3-9(7-10(12)16(17)18)11-8-20-13-14-5-6-15(11)13/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of 3-(4-ethoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(4-ethoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 291.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 715069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).