N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C24H26N4O3S — CID 134013147

IUPACN-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C24H26N4O3S/c1-27(16-18-7-9-21(10-8-18)28-11-13-31-14-12-28)22(29)15-20-17-32-24(25-20)26-23(30)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,25,26,30)
InChIKeyVMOPIOCHNMYWDX-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.43
Rot. Bonds7

About N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 134013147) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID134013147
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C24H26N4O3S/c1-27(16-18-7-9-21(10-8-18)28-11-13-31-14-12-28)22(29)15-20-17-32-24(25-20)26-23(30)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,25,26,30)
InChIKeyVMOPIOCHNMYWDX-UHFFFAOYSA-N
XLogP3.43
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18163531
N-[4-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 134058671
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 26973129
2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
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N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 134013164
N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41160057
1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 78874975
N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 26927547
N-[4-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 45497639
N-[4-[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55369025
N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 51191475
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 134013147) is N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is VMOPIOCHNMYWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-27(16-18-7-9-21(10-8-18)28-11-13-31-14-12-28)22(29)15-20-17-32-24(25-20)26-23(30)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,25,26,30).
What are the key properties of N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 450.56 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 134013147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).