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

C16H21N3OS — CID 82103173

IUPACN-[3-[2-[2-(propylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCCCNCCc1nc(-c2cccc(NC(C)=O)c2)cs1
InChIInChI=1S/C16H21N3OS/c1-3-8-17-9-7-16-19-15(11-21-16)13-5-4-6-14(10-13)18-12(2)20/h4-6,10-11,17H,3,7-9H2,1-2H3,(H,18,20)
InChIKeyBCVYDGWBPCYKFE-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.31
Rot. Bonds7

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

N-[3-[2-[2-(propylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 82103173) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[3-[2-[2-(propylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[2-(propylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID82103173
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[3-[2-[2-(propylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCCCNCCc1nc(-c2cccc(NC(C)=O)c2)cs1
InChIInChI=1S/C16H21N3OS/c1-3-8-17-9-7-16-19-15(11-21-16)13-5-4-6-14(10-13)18-12(2)20/h4-6,10-11,17H,3,7-9H2,1-2H3,(H,18,20)
InChIKeyBCVYDGWBPCYKFE-UHFFFAOYSA-N
XLogP3.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[2-[2-(propylamino)ethyl]-1,3-thiazol-4-yl]phenyl]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

N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 110423823
N-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110650544
N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 82103470
N-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 84566142
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103158
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
N-[3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]propyl]acetamide
CID 82103538
3-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethylamino]propanoic acid
CID 82102974
N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 122159689
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319
1-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317792

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(propylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[2-(propylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide (CID 82103173) is N-[3-[2-[2-(propylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[2-(propylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[2-(propylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide is CCCNCCc1nc(-c2cccc(NC(C)=O)c2)cs1.
What is the InChIKey of N-[3-[2-[2-(propylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is BCVYDGWBPCYKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-8-17-9-7-16-19-15(11-21-16)13-5-4-6-14(10-13)18-12(2)20/h4-6,10-11,17H,3,7-9H2,1-2H3,(H,18,20).
What are the key properties of N-[3-[2-[2-(propylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide?
N-[3-[2-[2-(propylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 303.43 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(propylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 82103173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).