N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide

C13H16N4O2S2 — CID 18589155

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide
SMILESCN(C)C(CNC(=O)C(=O)Nc1nccs1)c1cccs1
InChIInChI=1S/C13H16N4O2S2/c1-17(2)9(10-4-3-6-20-10)8-15-11(18)12(19)16-13-14-5-7-21-13/h3-7,9H,8H2,1-2H3,(H,15,18)(H,14,16,19)
InChIKeyHPSDNEHKGPWKSK-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.56
Rot. Bonds5

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 18589155) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide
PubChem CID18589155
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide
SMILESCN(C)C(CNC(=O)C(=O)Nc1nccs1)c1cccs1
InChIInChI=1S/C13H16N4O2S2/c1-17(2)9(10-4-3-6-20-10)8-15-11(18)12(19)16-13-14-5-7-21-13/h3-7,9H,8H2,1-2H3,(H,15,18)(H,14,16,19)
InChIKeyHPSDNEHKGPWKSK-UHFFFAOYSA-N
XLogP1.56
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide 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-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide
CID 30835013
N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 41454681
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
CID 30834974
2-(tert-butylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 47839911
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
N-[(2S)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 40947898
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 61266045
N,N-dimethyl-N'-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55208645
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47134291
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(pyridin-3-ylmethyl)urea
CID 94017013

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide (CID 18589155) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide is CN(C)C(CNC(=O)C(=O)Nc1nccs1)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide?
The InChIKey is HPSDNEHKGPWKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-17(2)9(10-4-3-6-20-10)8-15-11(18)12(19)16-13-14-5-7-21-13/h3-7,9H,8H2,1-2H3,(H,15,18)(H,14,16,19).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 324.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 18589155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).