5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole

C15H11N3O2S — CID 58200580

IUPAC5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole
SMILESCc1sc(-c2ccccn2)nc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O2S/c1-10-14(11-5-7-12(8-6-11)18(19)20)17-15(21-10)13-4-2-3-9-16-13/h2-9H,1H3
InChIKeyGJLSHYUPZNZZRX-UHFFFAOYSA-N
MW297.34 g/mol
LogP4.09
Rot. Bonds3

About 5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole

5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole (PubChem CID 58200580) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole
PubChem CID58200580
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole
SMILESCc1sc(-c2ccccn2)nc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O2S/c1-10-14(11-5-7-12(8-6-11)18(19)20)17-15(21-10)13-4-2-3-9-16-13/h2-9H,1H3
InChIKeyGJLSHYUPZNZZRX-UHFFFAOYSA-N
XLogP4.09
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 54.09
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 5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole (CID 58200580) is 5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole is Cc1sc(-c2ccccn2)nc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is GJLSHYUPZNZZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c1-10-14(11-5-7-12(8-6-11)18(19)20)17-15(21-10)13-4-2-3-9-16-13/h2-9H,1H3.
What are the key properties of 5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole?
5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 297.34 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 58200580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).