N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide

C18H25N3OS — CID 95293677

IUPACN-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
SMILESCCc1nc(CC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2)cs1
InChIInChI=1S/C18H25N3OS/c1-5-18-20-15(12-23-18)11-17(22)19-13(2)10-14-6-8-16(9-7-14)21(3)4/h6-9,12-13H,5,10-11H2,1-4H3,(H,19,22)/t13-/m0/s1
InChIKeyCPVRIXDOCACHMI-ZDUSSCGKSA-N
MW331.49 g/mol
LogP3.06
Rot. Bonds7

About N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide

N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide (PubChem CID 95293677) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
PubChem CID95293677
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC NameN-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
SMILESCCc1nc(CC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2)cs1
InChIInChI=1S/C18H25N3OS/c1-5-18-20-15(12-23-18)11-17(22)19-13(2)10-14-6-8-16(9-7-14)21(3)4/h6-9,12-13H,5,10-11H2,1-4H3,(H,19,22)/t13-/m0/s1
InChIKeyCPVRIXDOCACHMI-ZDUSSCGKSA-N
XLogP3.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide
CID 86832332
2-(2-ethyl-1,3-thiazol-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 110903716
2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 119224070
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 94214954
2-[2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 46266194
1-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 55034636
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylpentan-2-yl)acetamide
CID 43372505
N-[(2S)-butan-2-yl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 51662756
N-[4-(dimethylamino)phenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 112500932
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 119606699
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-hexan-2-ylacetamide
CID 62199892

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide (CID 95293677) is N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide is CCc1nc(CC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2)cs1.
What is the InChIKey of N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is CPVRIXDOCACHMI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-5-18-20-15(12-23-18)11-17(22)19-13(2)10-14-6-8-16(9-7-14)21(3)4/h6-9,12-13H,5,10-11H2,1-4H3,(H,19,22)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide?
N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 331.49 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 95293677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).