N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide

C15H19N3OS — CID 64557853

IUPACN-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCNC(C)c1csc(NC(=O)CCc2ccccc2)n1
InChIInChI=1S/C15H19N3OS/c1-11(16-2)13-10-20-15(17-13)18-14(19)9-8-12-6-4-3-5-7-12/h3-7,10-11,16H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyVBOOOGALSRBPOU-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.99
Rot. Bonds6

About N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide

N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide (PubChem CID 64557853) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
PubChem CID64557853
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCNC(C)c1csc(NC(=O)CCc2ccccc2)n1
InChIInChI=1S/C15H19N3OS/c1-11(16-2)13-10-20-15(17-13)18-14(19)9-8-12-6-4-3-5-7-12/h3-7,10-11,16H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyVBOOOGALSRBPOU-UHFFFAOYSA-N
XLogP2.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide 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-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 16915593
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
2-(2-methoxyphenyl)-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]acetamide
CID 64556077
N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 64557656
2-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 84555961
2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64556868
2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide
CID 64557263
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885
5-methyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 64558252
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide
CID 64555491
1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea
CID 64556505
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide (CID 64557853) is N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide is CNC(C)c1csc(NC(=O)CCc2ccccc2)n1.
What is the InChIKey of N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide?
The InChIKey is VBOOOGALSRBPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11(16-2)13-10-20-15(17-13)18-14(19)9-8-12-6-4-3-5-7-12/h3-7,10-11,16H,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide?
N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide has a molecular weight of 289.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 64557853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).