N-[4-[6-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]methanimine

C19H17FN4OS — CID 145104362

IUPACN-[4-[6-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]methanimine
SMILESC=Nc1nc(-c2cccc(N3CCOC(c4cccc(F)c4)C3)n2)cs1
InChIInChI=1S/C19H17FN4OS/c1-21-19-23-16(12-26-19)15-6-3-7-18(22-15)24-8-9-25-17(11-24)13-4-2-5-14(20)10-13/h2-7,10,12,17H,1,8-9,11H2
InChIKeyPWGBUJXMDDDXFQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.25
Rot. Bonds4

About N-[4-[6-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]methanimine

N-[4-[6-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]methanimine (PubChem CID 145104362) has the molecular formula C19H17FN4OS and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[4-[6-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]methanimine.

Molecular Properties

Compound NameN-[4-[6-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]methanimine
PubChem CID145104362
Molecular FormulaC19H17FN4OS
Molecular Weight368.44 g/mol
Exact Mass368.11
IUPAC NameN-[4-[6-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]methanimine
SMILESC=Nc1nc(-c2cccc(N3CCOC(c4cccc(F)c4)C3)n2)cs1
InChIInChI=1S/C19H17FN4OS/c1-21-19-23-16(12-26-19)15-6-3-7-18(22-15)24-8-9-25-17(11-24)13-4-2-5-14(20)10-13/h2-7,10,12,17H,1,8-9,11H2
InChIKeyPWGBUJXMDDDXFQ-UHFFFAOYSA-N
XLogP4.25
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenyl)-4-methylmorpholine
CID 77271439
2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
CID 133343722
[2-(3-fluorophenyl)morpholin-4-yl]methyl-trimethylsilane
CID 86902020
6-[2-(3-hydroxyphenyl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 122054423
1,3-diazinane;ethane;[1-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]piperidin-3-yl]methanol
CID 145105083
2-[2-(3-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 86884100
N-[4-[1-(6-pyridin-2-yl-2-pyridinyl)piperidin-3-yl]-1,3-thiazol-2-yl]methanimine
CID 145104480
N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-[6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 145104626
6-(2-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxylic acid
CID 122054334
3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol
CID 97069431
(2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine
CID 67029066
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]methanimine?
The IUPAC name of N-[4-[6-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]methanimine (CID 145104362) is N-[4-[6-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]methanimine.
What is the SMILES notation for N-[4-[6-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]methanimine?
The canonical SMILES for N-[4-[6-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]methanimine is C=Nc1nc(-c2cccc(N3CCOC(c4cccc(F)c4)C3)n2)cs1.
What is the InChIKey of N-[4-[6-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]methanimine?
The InChIKey is PWGBUJXMDDDXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4OS/c1-21-19-23-16(12-26-19)15-6-3-7-18(22-15)24-8-9-25-17(11-24)13-4-2-5-14(20)10-13/h2-7,10,12,17H,1,8-9,11H2.
What are the key properties of N-[4-[6-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]methanimine?
N-[4-[6-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]methanimine has a molecular weight of 368.44 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[2-(3-fluorophenyl)morpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]methanimine is sourced from PubChem (CID 145104362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).