N-[[4-fluoro-3-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

C18H19FN6O2S — CID 168618571

IUPACN-[[4-fluoro-3-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc(F)c(-c3noc(CN4CCOCC4)n3)c2)n1
InChIInChI=1S/C18H19FN6O2S/c1-12-11-28-18(21-12)23-20-9-13-2-3-15(19)14(8-13)17-22-16(27-24-17)10-25-4-6-26-7-5-25/h2-3,8-9,11H,4-7,10H2,1H3,(H,21,23)
InChIKeyOGFJNRKHLPSYEV-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.92
Rot. Bonds6

About N-[[4-fluoro-3-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

N-[[4-fluoro-3-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168618571) has the molecular formula C18H19FN6O2S and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[[4-fluoro-3-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168618571
Molecular FormulaC18H19FN6O2S
Molecular Weight402.46 g/mol
Exact Mass402.13
IUPAC NameN-[[4-fluoro-3-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc(F)c(-c3noc(CN4CCOCC4)n3)c2)n1
InChIInChI=1S/C18H19FN6O2S/c1-12-11-28-18(21-12)23-20-9-13-2-3-15(19)14(8-13)17-22-16(27-24-17)10-25-4-6-26-7-5-25/h2-3,8-9,11H,4-7,10H2,1H3,(H,21,23)
InChIKeyOGFJNRKHLPSYEV-UHFFFAOYSA-N
XLogP2.92
TPSA88.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[[4-[5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168619659
[[4-fluoro-3-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylideneamino]thiourea
CID 168535525
ethyl 2-[2-[2-[[4-fluoro-3-[5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168625451
benzyl N'-[[4-fluoro-3-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylideneamino]carbamimidothioate
CID 168612725
4-methyl-N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617314
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4642843
2-N-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625935
2-bromo-4-[(Z)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822257
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylideneamino)-4-methyl-1,3-thiazol-2-amine
CID 168618421
N-[(4-fluoro-3-pentoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617263
N-[[3-fluoro-4-(hexoxymethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617375
ethyl 2-[2-[2-[[4-fluoro-2-(morpholin-4-ylmethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623304

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[4-fluoro-3-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168618571) is N-[[4-fluoro-3-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[4-fluoro-3-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[4-fluoro-3-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NN=Cc2ccc(F)c(-c3noc(CN4CCOCC4)n3)c2)n1.
What is the InChIKey of N-[[4-fluoro-3-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is OGFJNRKHLPSYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2S/c1-12-11-28-18(21-12)23-20-9-13-2-3-15(19)14(8-13)17-22-16(27-24-17)10-25-4-6-26-7-5-25/h2-3,8-9,11H,4-7,10H2,1H3,(H,21,23).
What are the key properties of N-[[4-fluoro-3-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[[4-fluoro-3-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 402.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-[5-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168618571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).