N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide

C27H32N4O3S — CID 55887472

IUPACN-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cc1
InChIInChI=1S/C27H32N4O3S/c1-19-6-8-22(9-7-19)27-24(35-20(2)29-27)17-26(33)28-18-21-4-3-5-23(16-21)30-25(32)10-11-31-12-14-34-15-13-31/h3-9,16H,10-15,17-18H2,1-2H3,(H,28,33)(H,30,32)
InChIKeyQBOOSUHJXWVHEM-UHFFFAOYSA-N
MW492.65 g/mol
LogP3.95
Rot. Bonds9

About N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide

N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide (PubChem CID 55887472) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
PubChem CID55887472
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC NameN-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cc1
InChIInChI=1S/C27H32N4O3S/c1-19-6-8-22(9-7-19)27-24(35-20(2)29-27)17-26(33)28-18-21-4-3-5-23(16-21)30-25(32)10-11-31-12-14-34-15-13-31/h3-9,16H,10-15,17-18H2,1-2H3,(H,28,33)(H,30,32)
InChIKeyQBOOSUHJXWVHEM-UHFFFAOYSA-N
XLogP3.95
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55946576
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N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
CID 60536022
N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 60536121
N-[(3-chlorophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2107721
N-benzyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2461104
N-[3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55886714
1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide
CID 55991087
N-[3-[[[N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide;hydroiodide
CID 109430290
N-[3-[[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide;hydroiodide
CID 111957414
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide
CID 86937453
5-amino-2-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide (CID 55887472) is N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide is Cc1ccc(-c2nc(C)sc2CC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cc1.
What is the InChIKey of N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
The InChIKey is QBOOSUHJXWVHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-19-6-8-22(9-7-19)27-24(35-20(2)29-27)17-26(33)28-18-21-4-3-5-23(16-21)30-25(32)10-11-31-12-14-34-15-13-31/h3-9,16H,10-15,17-18H2,1-2H3,(H,28,33)(H,30,32).
What are the key properties of N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide has a molecular weight of 492.65 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 55887472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).