N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide

C16H21N3O2S — CID 110025648

IUPACN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide
SMILESCN(C)c1nc(CNC(=O)CC(C)(O)c2ccccc2)cs1
InChIInChI=1S/C16H21N3O2S/c1-16(21,12-7-5-4-6-8-12)9-14(20)17-10-13-11-22-15(18-13)19(2)3/h4-8,11,21H,9-10H2,1-3H3,(H,17,20)
InChIKeyZZGHEVFZLNNWGQ-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.12
Rot. Bonds6

About N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide

N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide (PubChem CID 110025648) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide
PubChem CID110025648
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide
SMILESCN(C)c1nc(CNC(=O)CC(C)(O)c2ccccc2)cs1
InChIInChI=1S/C16H21N3O2S/c1-16(21,12-7-5-4-6-8-12)9-14(20)17-10-13-11-22-15(18-13)19(2)3/h4-8,11,21H,9-10H2,1-3H3,(H,17,20)
InChIKeyZZGHEVFZLNNWGQ-UHFFFAOYSA-N
XLogP2.12
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide 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-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid
CID 139374899
4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide
CID 110024530
3-hydroxy-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylbutanamide
CID 110025329
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 56902393
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxyphenyl)propanamide
CID 86791470
N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide
CID 110026341
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
CID 97274936
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111619161
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide
CID 110025076
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide
CID 110024507
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110024390

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide (CID 110025648) is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide is CN(C)c1nc(CNC(=O)CC(C)(O)c2ccccc2)cs1.
What is the InChIKey of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide?
The InChIKey is ZZGHEVFZLNNWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-16(21,12-7-5-4-6-8-12)9-14(20)17-10-13-11-22-15(18-13)19(2)3/h4-8,11,21H,9-10H2,1-3H3,(H,17,20).
What are the key properties of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide?
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide has a molecular weight of 319.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 110025648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).