N-ethyl-N'-[4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide

C21H23FN4S — CID 90193647

IUPACN-ethyl-N'-[4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2nc(-c3cncc(F)c3)cs2)cc1C
InChIInChI=1S/C21H23FN4S/c1-5-26(4)13-24-19-7-14(2)16(6-15(19)3)9-21-25-20(12-27-21)17-8-18(22)11-23-10-17/h6-8,10-13H,5,9H2,1-4H3/b24-13+
InChIKeyFOEXZWQUYHBCPD-ZMOGYAJESA-N
MW382.51 g/mol
LogP5.16
Rot. Bonds6

About N-ethyl-N'-[4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide

N-ethyl-N'-[4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide (PubChem CID 90193647) has the molecular formula C21H23FN4S and a molecular weight of 382.51 g/mol. Its IUPAC name is N-ethyl-N'-[4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
PubChem CID90193647
Molecular FormulaC21H23FN4S
Molecular Weight382.51 g/mol
Exact Mass382.16
IUPAC NameN-ethyl-N'-[4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cc2nc(-c3cncc(F)c3)cs2)cc1C
InChIInChI=1S/C21H23FN4S/c1-5-26(4)13-24-19-7-14(2)16(6-15(19)3)9-21-25-20(12-27-21)17-8-18(22)11-23-10-17/h6-8,10-13H,5,9H2,1-4H3/b24-13+
InChIKeyFOEXZWQUYHBCPD-ZMOGYAJESA-N
XLogP5.16
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-ethyl-N'-[4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Fatostatin
CID 1889993
Foropafant
CID 119368
2-(2-Propylpyridin-4-yl)-4-p-tolylthiazole hydrobromide
CID 2850562
N-(3,4-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 972507
4-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 5306660
2-Ethyl-5-(2-fluoro-4-pyridyl)-4-(3-methylphenyl)-1,3-thiazole
CID 9900885
1-Fluoro-3-(pyridin-3-yl)-5-(2-methylthiazol-4ylethynyl)benzene
CID 44157259
1-(Pyridin-3-yl)-2-fluoro-4-(2-methylthiazol-4ylethynyl)benzene
CID 44157339
4-(3-Fluorophenyl)-2-(2-propyl-4-pyridyl)thiazole
CID 118709514
4-(2-Fluorophenyl)-2-(2-propyl-4-pyridyl)thiazole
CID 118709515
2-(2-Propyl-4-pyridyl)-4-[3-(trifluoromethyl)phenyl]thiazole
CID 118709517
2-(2-Propyl-4-pyridyl)-4-[2-(trifluoromethyl)phenyl]thiazole
CID 118709518

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide (CID 90193647) is N-ethyl-N'-[4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Cc2nc(-c3cncc(F)c3)cs2)cc1C.
What is the InChIKey of N-ethyl-N'-[4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The InChIKey is FOEXZWQUYHBCPD-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H23FN4S/c1-5-26(4)13-24-19-7-14(2)16(6-15(19)3)9-21-25-20(12-27-21)17-8-18(22)11-23-10-17/h6-8,10-13H,5,9H2,1-4H3/b24-13+.
What are the key properties of N-ethyl-N'-[4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
N-ethyl-N'-[4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide has a molecular weight of 382.51 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[4-[[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]methyl]-2,5-dimethylphenyl]-N-methylmethanimidamide is sourced from PubChem (CID 90193647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).