4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol

C17H16N4O3S — CID 133180381

IUPAC4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol
SMILESCC1CN2C(=NC(c3ccccn3)C2c2ccc(O)c([N+](=O)[O-])c2)S1
InChIInChI=1S/C17H16N4O3S/c1-10-9-20-16(11-5-6-14(22)13(8-11)21(23)24)15(19-17(20)25-10)12-4-2-3-7-18-12/h2-8,10,15-16,22H,9H2,1H3
InChIKeyVZOQWWJUUOLLMP-UHFFFAOYSA-N
MW356.41 g/mol
LogP3.28
Rot. Bonds3

About 4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol

4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol (PubChem CID 133180381) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol.

Molecular Properties

Compound Name4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol
PubChem CID133180381
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol
SMILESCC1CN2C(=NC(c3ccccn3)C2c2ccc(O)c([N+](=O)[O-])c2)S1
InChIInChI=1S/C17H16N4O3S/c1-10-9-20-16(11-5-6-14(22)13(8-11)21(23)24)15(19-17(20)25-10)12-4-2-3-7-18-12/h2-8,10,15-16,22H,9H2,1H3
InChIKeyVZOQWWJUUOLLMP-UHFFFAOYSA-N
XLogP3.28
TPSA91.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-(3,4-dimethoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180354
(2R,5R,6R)-5-(4-fluorophenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053426
(2R,5R,6R)-2-methyl-6-pyridin-2-yl-5-pyridin-3-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125052672
5-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180619
(2R,5R,6S)-5-(3-bromo-4-ethoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125055606
2-methyl-5-(4-piperidin-1-ylphenyl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180510
(2R,5S,6R)-2-methyl-5-[1-(3-nitrophenyl)pyrrol-2-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053326
(2R,5R,6S)-5-(3-bromo-4-propan-2-yloxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125051484
(2R,5R,6R)-2-methyl-5-(1-phenylpyrrol-3-yl)-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125051387
5-(1-tert-butylpyrrol-3-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180496
2-methyl-6-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180438
5-(1-ethyl-5-methylpyrrol-2-yl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180613

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol?
The IUPAC name of 4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol (CID 133180381) is 4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol.
What is the SMILES notation for 4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol?
The canonical SMILES for 4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol is CC1CN2C(=NC(c3ccccn3)C2c2ccc(O)c([N+](=O)[O-])c2)S1.
What is the InChIKey of 4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol?
The InChIKey is VZOQWWJUUOLLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-10-9-20-16(11-5-6-14(22)13(8-11)21(23)24)15(19-17(20)25-10)12-4-2-3-7-18-12/h2-8,10,15-16,22H,9H2,1H3.
What are the key properties of 4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol?
4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol has a molecular weight of 356.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol is sourced from PubChem (CID 133180381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).