N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide

C16H19FN4O2S — CID 136540841

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCc1csc(C2CN(C(=O)NC(C)c3cncc(F)c3)CCO2)n1
InChIInChI=1S/C16H19FN4O2S/c1-10-9-24-15(19-10)14-8-21(3-4-23-14)16(22)20-11(2)12-5-13(17)7-18-6-12/h5-7,9,11,14H,3-4,8H2,1-2H3,(H,20,22)
InChIKeyFUMOMNJVXLCJJD-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.83
Rot. Bonds3

About N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide

N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (PubChem CID 136540841) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
PubChem CID136540841
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCc1csc(C2CN(C(=O)NC(C)c3cncc(F)c3)CCO2)n1
InChIInChI=1S/C16H19FN4O2S/c1-10-9-24-15(19-10)14-8-21(3-4-23-14)16(22)20-11(2)12-5-13(17)7-18-6-12/h5-7,9,11,14H,3-4,8H2,1-2H3,(H,20,22)
InChIKeyFUMOMNJVXLCJJD-UHFFFAOYSA-N
XLogP2.83
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124627295
(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 100743878
(2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124738342
(2R)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 100745557
(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124873671
[2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 126799769
(2S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 100752575
(5-chloro-2-hydroxyphenyl)-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 154755989
N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 95135990
(2R)-2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 129426812
1-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122017263
(2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide
CID 95303634

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (CID 136540841) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is Cc1csc(C2CN(C(=O)NC(C)c3cncc(F)c3)CCO2)n1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is FUMOMNJVXLCJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-10-9-24-15(19-10)14-8-21(3-4-23-14)16(22)20-11(2)12-5-13(17)7-18-6-12/h5-7,9,11,14H,3-4,8H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 136540841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).