2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide

C18H24N4O2S — CID 47076192

IUPAC2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)Cc1cscn1
InChIInChI=1S/C18H24N4O2S/c1-14(21(2)11-16-12-25-13-19-16)18(23)20-15-3-5-17(6-4-15)22-7-9-24-10-8-22/h3-6,12-14H,7-11H2,1-2H3,(H,20,23)
InChIKeyBWODKINUMUILLA-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.44
Rot. Bonds6

About 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide

2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 47076192) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID47076192
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)Cc1cscn1
InChIInChI=1S/C18H24N4O2S/c1-14(21(2)11-16-12-25-13-19-16)18(23)20-15-3-5-17(6-4-15)22-7-9-24-10-8-22/h3-6,12-14H,7-11H2,1-2H3,(H,20,23)
InChIKeyBWODKINUMUILLA-UHFFFAOYSA-N
XLogP2.44
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168347
(2R)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41118821
2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 75448405
(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9030106
4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685189
2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 55869108
(2R)-2-[3-imidazol-1-ylpropyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 97236237
(2S)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-phenylpropanamide
CID 26381814
(2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide
CID 94200145
N-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide
CID 47076191
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
N-(4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 17491426

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide (CID 47076192) is 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide is CC(C(=O)Nc1ccc(N2CCOCC2)cc1)N(C)Cc1cscn1.
What is the InChIKey of 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is BWODKINUMUILLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-14(21(2)11-16-12-25-13-19-16)18(23)20-15-3-5-17(6-4-15)22-7-9-24-10-8-22/h3-6,12-14H,7-11H2,1-2H3,(H,20,23).
What are the key properties of 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide?
2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 360.48 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 47076192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).