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

C12H11N3O2S — CID 11841693

IUPAC6-methyl-3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC1CN2C(c3ccc([N+](=O)[O-])cc3)=CSC2=N1
InChIInChI=1S/C12H11N3O2S/c1-8-6-14-11(7-18-12(14)13-8)9-2-4-10(5-3-9)15(16)17/h2-5,7-8H,6H2,1H3
InChIKeyGCJBHGVUPLVLQE-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.70
Rot. Bonds2

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

6-methyl-3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 11841693) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 6-methyl-3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-methyl-3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID11841693
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name6-methyl-3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC1CN2C(c3ccc([N+](=O)[O-])cc3)=CSC2=N1
InChIInChI=1S/C12H11N3O2S/c1-8-6-14-11(7-18-12(14)13-8)9-2-4-10(5-3-9)15(16)17/h2-5,7-8H,6H2,1H3
InChIKeyGCJBHGVUPLVLQE-UHFFFAOYSA-N
XLogP2.70
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-methyl-3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 11841693) is 6-methyl-3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-methyl-3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-methyl-3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CC1CN2C(c3ccc([N+](=O)[O-])cc3)=CSC2=N1.
What is the InChIKey of 6-methyl-3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is GCJBHGVUPLVLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-8-6-14-11(7-18-12(14)13-8)9-2-4-10(5-3-9)15(16)17/h2-5,7-8H,6H2,1H3.
What are the key properties of 6-methyl-3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
6-methyl-3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 261.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-nitrophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 11841693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).