6-methyl-5-[(Z)-2-(4-nitrophenyl)-2-pyridin-4-ylethenyl]imidazo[2,1-b][1,3]thiazole

C19H14N4O2S — CID 167932711

IUPAC6-methyl-5-[(Z)-2-(4-nitrophenyl)-2-pyridin-4-ylethenyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1/C=C(\c1ccncc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14N4O2S/c1-13-18(22-10-11-26-19(22)21-13)12-17(15-6-8-20-9-7-15)14-2-4-16(5-3-14)23(24)25/h2-12H,1H3/b17-12-
InChIKeyZFRBKZIDYNEPTH-ATVHPVEESA-N
MW362.41 g/mol
LogP4.60
Rot. Bonds4

About 6-methyl-5-[(Z)-2-(4-nitrophenyl)-2-pyridin-4-ylethenyl]imidazo[2,1-b][1,3]thiazole

6-methyl-5-[(Z)-2-(4-nitrophenyl)-2-pyridin-4-ylethenyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 167932711) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is 6-methyl-5-[(Z)-2-(4-nitrophenyl)-2-pyridin-4-ylethenyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-methyl-5-[(Z)-2-(4-nitrophenyl)-2-pyridin-4-ylethenyl]imidazo[2,1-b][1,3]thiazole
PubChem CID167932711
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC Name6-methyl-5-[(Z)-2-(4-nitrophenyl)-2-pyridin-4-ylethenyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1/C=C(\c1ccncc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14N4O2S/c1-13-18(22-10-11-26-19(22)21-13)12-17(15-6-8-20-9-7-15)14-2-4-16(5-3-14)23(24)25/h2-12H,1H3/b17-12-
InChIKeyZFRBKZIDYNEPTH-ATVHPVEESA-N
XLogP4.60
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.60
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(Z)-2-(4-nitrophenyl)-2-pyridin-4-ylethenyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-methyl-5-[(Z)-2-(4-nitrophenyl)-2-pyridin-4-ylethenyl]imidazo[2,1-b][1,3]thiazole (CID 167932711) is 6-methyl-5-[(Z)-2-(4-nitrophenyl)-2-pyridin-4-ylethenyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-methyl-5-[(Z)-2-(4-nitrophenyl)-2-pyridin-4-ylethenyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-methyl-5-[(Z)-2-(4-nitrophenyl)-2-pyridin-4-ylethenyl]imidazo[2,1-b][1,3]thiazole is Cc1nc2sccn2c1/C=C(\c1ccncc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 6-methyl-5-[(Z)-2-(4-nitrophenyl)-2-pyridin-4-ylethenyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is ZFRBKZIDYNEPTH-ATVHPVEESA-N. The full InChI is InChI=1S/C19H14N4O2S/c1-13-18(22-10-11-26-19(22)21-13)12-17(15-6-8-20-9-7-15)14-2-4-16(5-3-14)23(24)25/h2-12H,1H3/b17-12-.
What are the key properties of 6-methyl-5-[(Z)-2-(4-nitrophenyl)-2-pyridin-4-ylethenyl]imidazo[2,1-b][1,3]thiazole?
6-methyl-5-[(Z)-2-(4-nitrophenyl)-2-pyridin-4-ylethenyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 362.41 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(Z)-2-(4-nitrophenyl)-2-pyridin-4-ylethenyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 167932711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).