N,N-dimethyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methylamino]butanamide

C18H25N3O2S — CID 119129685

IUPACN,N-dimethyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methylamino]butanamide
SMILESCc1ccc(OCc2nc(CNCCCC(=O)N(C)C)cs2)cc1
InChIInChI=1S/C18H25N3O2S/c1-14-6-8-16(9-7-14)23-12-17-20-15(13-24-17)11-19-10-4-5-18(22)21(2)3/h6-9,13,19H,4-5,10-12H2,1-3H3
InChIKeyNEOJZSNBJDCGJT-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.99
Rot. Bonds9

About N,N-dimethyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methylamino]butanamide

N,N-dimethyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methylamino]butanamide (PubChem CID 119129685) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methylamino]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methylamino]butanamide
PubChem CID119129685
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN,N-dimethyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methylamino]butanamide
SMILESCc1ccc(OCc2nc(CNCCCC(=O)N(C)C)cs2)cc1
InChIInChI=1S/C18H25N3O2S/c1-14-6-8-16(9-7-14)23-12-17-20-15(13-24-17)11-19-10-4-5-18(22)21(2)3/h6-9,13,19H,4-5,10-12H2,1-3H3
InChIKeyNEOJZSNBJDCGJT-UHFFFAOYSA-N
XLogP2.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]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-[methyl-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119232998
3-indol-1-yl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 112806723
3-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 111122709
5-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]pentanoic acid
CID 119234934
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylacetamide
CID 24714441
N-[3-(methylamino)propyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119432048
N-[2-(ethylamino)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119507257
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 111543162
N-(1-aminopropan-2-yl)-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119583421
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine
CID 119129675
[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
N-[(2R)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 93165865

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methylamino]butanamide?
The IUPAC name of N,N-dimethyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methylamino]butanamide (CID 119129685) is N,N-dimethyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methylamino]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methylamino]butanamide?
The canonical SMILES for N,N-dimethyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methylamino]butanamide is Cc1ccc(OCc2nc(CNCCCC(=O)N(C)C)cs2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methylamino]butanamide?
The InChIKey is NEOJZSNBJDCGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-14-6-8-16(9-7-14)23-12-17-20-15(13-24-17)11-19-10-4-5-18(22)21(2)3/h6-9,13,19H,4-5,10-12H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methylamino]butanamide?
N,N-dimethyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methylamino]butanamide has a molecular weight of 347.48 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methylamino]butanamide is sourced from PubChem (CID 119129685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).