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

C16H20BrN3OS — CID 119812957

IUPACN-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(C)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C16H20BrN3OS/c1-11(19-15(21)4-3-9-18-2)16-20-14(10-22-16)12-5-7-13(17)8-6-12/h5-8,10-11,18H,3-4,9H2,1-2H3,(H,19,21)
InChIKeyAXWONLFMVUNFPX-UHFFFAOYSA-N
MW382.33 g/mol
LogP3.75
Rot. Bonds7

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

N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide (PubChem CID 119812957) has the molecular formula C16H20BrN3OS and a molecular weight of 382.33 g/mol. Its IUPAC name is N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide
PubChem CID119812957
Molecular FormulaC16H20BrN3OS
Molecular Weight382.33 g/mol
Exact Mass381.05
IUPAC NameN-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(C)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C16H20BrN3OS/c1-11(19-15(21)4-3-9-18-2)16-20-14(10-22-16)12-5-7-13(17)8-6-12/h5-8,10-11,18H,3-4,9H2,1-2H3,(H,19,21)
InChIKeyAXWONLFMVUNFPX-UHFFFAOYSA-N
XLogP3.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide 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

3-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanoic acid
CID 122006908
4-(4-bromophenyl)-4-oxo-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]butanamide
CID 86933082
(2R)-2-amino-N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]propanamide;hydrochloride
CID 119340387
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119812966
2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol
CID 97353571
N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119753158
8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide
CID 97089517
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide
CID 146094803
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide
CID 119340374
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide
CID 119677128
4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide
CID 60842051
4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119879007

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide?
The IUPAC name of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide (CID 119812957) is N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide is CNCCCC(=O)NC(C)c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide?
The InChIKey is AXWONLFMVUNFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3OS/c1-11(19-15(21)4-3-9-18-2)16-20-14(10-22-16)12-5-7-13(17)8-6-12/h5-8,10-11,18H,3-4,9H2,1-2H3,(H,19,21).
What are the key properties of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide?
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide has a molecular weight of 382.33 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119812957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).