N-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C19H16FN5O2S — CID 90446631

IUPACN-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc([N+](=O)[O-])cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C19H16FN5O2S/c1-3-15-18(24-10-14(25(26)27)8-9-17(24)21-15)23(2)19-22-16(11-28-19)12-4-6-13(20)7-5-12/h4-11H,3H2,1-2H3
InChIKeyGTGXUEBXOBXMNP-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.84
Rot. Bonds5

About N-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 90446631) has the molecular formula C19H16FN5O2S and a molecular weight of 397.44 g/mol. Its IUPAC name is N-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID90446631
Molecular FormulaC19H16FN5O2S
Molecular Weight397.44 g/mol
Exact Mass397.10
IUPAC NameN-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc([N+](=O)[O-])cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C19H16FN5O2S/c1-3-15-18(24-10-14(25(26)27)8-9-17(24)21-15)23(2)19-22-16(11-28-19)12-4-6-13(20)7-5-12/h4-11H,3H2,1-2H3
InChIKeyGTGXUEBXOBXMNP-UHFFFAOYSA-N
XLogP4.84
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 90446631) is N-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc([N+](=O)[O-])cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is GTGXUEBXOBXMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2S/c1-3-15-18(24-10-14(25(26)27)8-9-17(24)21-15)23(2)19-22-16(11-28-19)12-4-6-13(20)7-5-12/h4-11H,3H2,1-2H3.
What are the key properties of N-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 397.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 90446631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).