N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide

C24H27N3O3S — CID 3226640

IUPACN-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCOCCNC(=O)C(c1ccccc1)N(C(=O)c1sc(C)nc1C)c1cccc(C)c1
InChIInChI=1S/C24H27N3O3S/c1-16-9-8-12-20(15-16)27(24(29)22-17(2)26-18(3)31-22)21(19-10-6-5-7-11-19)23(28)25-13-14-30-4/h5-12,15,21H,13-14H2,1-4H3,(H,25,28)
InChIKeyPWTWAXKQPVGZHC-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.22
Rot. Bonds8

About N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide

N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 3226640) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID3226640
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCOCCNC(=O)C(c1ccccc1)N(C(=O)c1sc(C)nc1C)c1cccc(C)c1
InChIInChI=1S/C24H27N3O3S/c1-16-9-8-12-20(15-16)27(24(29)22-17(2)26-18(3)31-22)21(19-10-6-5-7-11-19)23(28)25-13-14-30-4/h5-12,15,21H,13-14H2,1-4H3,(H,25,28)
InChIKeyPWTWAXKQPVGZHC-UHFFFAOYSA-N
XLogP4.22
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 1457868
2,4-dimethyl-N-(3-methylphenyl)-N-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 25315140
N-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 25315235
N-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 25315223
N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 3215380
N-(3,4-dimethylphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 3215347
N-(3-chloro-4-methoxyphenyl)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 1457831
N-(3-chloro-4-methoxyphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 3215374
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 1459374
N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 1457919
N-(2,4-dimethylphenyl)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 1457797
N-(2,5-dimethylphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 25315115

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (CID 3226640) is N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide is COCCNC(=O)C(c1ccccc1)N(C(=O)c1sc(C)nc1C)c1cccc(C)c1.
What is the InChIKey of N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is PWTWAXKQPVGZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-16-9-8-12-20(15-16)27(24(29)22-17(2)26-18(3)31-22)21(19-10-6-5-7-11-19)23(28)25-13-14-30-4/h5-12,15,21H,13-14H2,1-4H3,(H,25,28).
What are the key properties of N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3226640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).