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

C16H21N3OS — CID 91765781

IUPAC2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
SMILESCCC(NC(=O)Cc1ccc(N(C)C)cc1)c1nccs1
InChIInChI=1S/C16H21N3OS/c1-4-14(16-17-9-10-21-16)18-15(20)11-12-5-7-13(8-6-12)19(2)3/h5-10,14H,4,11H2,1-3H3,(H,18,20)
InChIKeyPGIPSPSBFZKJCJ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.02
Rot. Bonds6

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

2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide (PubChem CID 91765781) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
PubChem CID91765781
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
SMILESCCC(NC(=O)Cc1ccc(N(C)C)cc1)c1nccs1
InChIInChI=1S/C16H21N3OS/c1-4-14(16-17-9-10-21-16)18-15(20)11-12-5-7-13(8-6-12)19(2)3/h5-10,14H,4,11H2,1-3H3,(H,18,20)
InChIKeyPGIPSPSBFZKJCJ-UHFFFAOYSA-N
XLogP3.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
CID 107030803
2-cyclopentyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630332
3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119954007
3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide
CID 124606976
1-(2-hydroxyethyl)-1-propyl-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 111439127
2-(cyclopropylmethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119890777
2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
3-[5-[(dimethylamino)methyl]-2-pyridinyl]-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
CID 125174061
(2R)-2-amino-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 103814744
2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119890751
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide (CID 91765781) is 2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide is CCC(NC(=O)Cc1ccc(N(C)C)cc1)c1nccs1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide?
The InChIKey is PGIPSPSBFZKJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-14(16-17-9-10-21-16)18-15(20)11-12-5-7-13(8-6-12)19(2)3/h5-10,14H,4,11H2,1-3H3,(H,18,20).
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide?
2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide has a molecular weight of 303.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide is sourced from PubChem (CID 91765781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).