(2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide

C16H25N3O2S — CID 124627295

IUPAC(2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESC=CCCC[C@@H](C)NC(=O)N1CCO[C@@H](c2nc(C)cs2)C1
InChIInChI=1S/C16H25N3O2S/c1-4-5-6-7-12(2)18-16(20)19-8-9-21-14(10-19)15-17-13(3)11-22-15/h4,11-12,14H,1,5-10H2,2-3H3,(H,18,20)/t12-,14-/m1/s1
InChIKeyFNKHORWQFODZPA-TZMCWYRMSA-N
MW323.46 g/mol
LogP3.28
Rot. Bonds6

About (2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide

(2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (PubChem CID 124627295) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
PubChem CID124627295
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESC=CCCC[C@@H](C)NC(=O)N1CCO[C@@H](c2nc(C)cs2)C1
InChIInChI=1S/C16H25N3O2S/c1-4-5-6-7-12(2)18-16(20)19-8-9-21-14(10-19)15-17-13(3)11-22-15/h4,11-12,14H,1,5-10H2,2-3H3,(H,18,20)/t12-,14-/m1/s1
InChIKeyFNKHORWQFODZPA-TZMCWYRMSA-N
XLogP3.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 136540841
(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-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124738342
(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124873671
(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 100743878
(2S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 100752575
N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 95135990
(5-chloro-2-hydroxyphenyl)-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 154755989
(2R)-2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 129426812
[2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 126799769
2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95137831
2-N-methyl-4-N-(4-methyl-1,3-thiazol-2-yl)morpholine-2,4-dicarboxamide
CID 75484296

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (CID 124627295) is (2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is C=CCCC[C@@H](C)NC(=O)N1CCO[C@@H](c2nc(C)cs2)C1.
What is the InChIKey of (2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is FNKHORWQFODZPA-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-4-5-6-7-12(2)18-16(20)19-8-9-21-14(10-19)15-17-13(3)11-22-15/h4,11-12,14H,1,5-10H2,2-3H3,(H,18,20)/t12-,14-/m1/s1.
What are the key properties of (2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
(2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 124627295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).