N-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide

C20H27N3O3S2 — CID 51504649

IUPACN-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2ccccc2)c(CC(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)s1
InChIInChI=1S/C20H27N3O3S2/c1-15-21-20(16-7-5-4-6-8-16)18(27-15)13-19(24)23(11-10-22(2)3)17-9-12-28(25,26)14-17/h4-8,17H,9-14H2,1-3H3/t17-/m1/s1
InChIKeyFKYNBVHKELBJPO-QGZVFWFLSA-N
MW421.59 g/mol
LogP2.24
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide

N-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide (PubChem CID 51504649) has the molecular formula C20H27N3O3S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide
PubChem CID51504649
Molecular FormulaC20H27N3O3S2
Molecular Weight421.59 g/mol
Exact Mass421.15
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2ccccc2)c(CC(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)s1
InChIInChI=1S/C20H27N3O3S2/c1-15-21-20(16-7-5-4-6-8-16)18(27-15)13-19(24)23(11-10-22(2)3)17-9-12-28(25,26)14-17/h4-8,17H,9-14H2,1-3H3/t17-/m1/s1
InChIKeyFKYNBVHKELBJPO-QGZVFWFLSA-N
XLogP2.24
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)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-[2-(dimethylamino)ethyl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46966362
3-benzyl-1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)urea
CID 108871318
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 78837678
N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)-N-ethyl-N-phenyloxamide
CID 108518612
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)ethyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 51504628
N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-prop-2-enylacetamide
CID 51124309
2-[(1,1-dioxothiolan-3-yl)-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 60844849
N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)oxamide
CID 108515684
N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide
CID 46966356
N-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 112808581
N-(1,1-dioxothiolan-3-yl)-2-(2-nitrophenyl)-N-propylacetamide
CID 78789212
1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900078

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide (CID 51504649) is N-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide is Cc1nc(-c2ccccc2)c(CC(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)s1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is FKYNBVHKELBJPO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N3O3S2/c1-15-21-20(16-7-5-4-6-8-16)18(27-15)13-19(24)23(11-10-22(2)3)17-9-12-28(25,26)14-17/h4-8,17H,9-14H2,1-3H3/t17-/m1/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide?
N-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 421.59 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 51504649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).