N-[2-(dimethylamino)ethyl]-N'-(4-methyl-1,3-thiazol-2-yl)oxamide

C10H16N4O2S — CID 44997250

IUPACN-[2-(dimethylamino)ethyl]-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
SMILESCc1csc(NC(=O)C(=O)NCCN(C)C)n1
InChIInChI=1S/C10H16N4O2S/c1-7-6-17-10(12-7)13-9(16)8(15)11-4-5-14(2)3/h6H,4-5H2,1-3H3,(H,11,15)(H,12,13,16)
InChIKeyXGOPWIKLYHBJQB-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.07
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-N'-(4-methyl-1,3-thiazol-2-yl)oxamide

N-[2-(dimethylamino)ethyl]-N'-(4-methyl-1,3-thiazol-2-yl)oxamide (PubChem CID 44997250) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-(4-methyl-1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
PubChem CID44997250
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
SMILESCc1csc(NC(=O)C(=O)NCCN(C)C)n1
InChIInChI=1S/C10H16N4O2S/c1-7-6-17-10(12-7)13-9(16)8(15)11-4-5-14(2)3/h6H,4-5H2,1-3H3,(H,11,15)(H,12,13,16)
InChIKeyXGOPWIKLYHBJQB-UHFFFAOYSA-N
XLogP0.07
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(dimethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4088039
N-(6-methyl-2-pyridinyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 108519296
N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 110647682
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pent-2-enamide
CID 75895895
N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N'-phenyloxamide
CID 108519268
4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4158385
1-(4-methyl-1,3-thiazol-2-yl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
CID 47206096
(E)-2,3-dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)but-2-enediamide
CID 166652851
N-[3-(dimethylamino)propyl]-N'-(6-methyl-2-pyridinyl)oxamide
CID 44997594
methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47299980
N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 44997302
4-chloro-N-[3-(dimethylamino)propyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 3450536

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-(4-methyl-1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-(4-methyl-1,3-thiazol-2-yl)oxamide (CID 44997250) is N-[2-(dimethylamino)ethyl]-N'-(4-methyl-1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-(4-methyl-1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-(4-methyl-1,3-thiazol-2-yl)oxamide is Cc1csc(NC(=O)C(=O)NCCN(C)C)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-(4-methyl-1,3-thiazol-2-yl)oxamide?
The InChIKey is XGOPWIKLYHBJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-7-6-17-10(12-7)13-9(16)8(15)11-4-5-14(2)3/h6H,4-5H2,1-3H3,(H,11,15)(H,12,13,16).
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-(4-methyl-1,3-thiazol-2-yl)oxamide?
N-[2-(dimethylamino)ethyl]-N'-(4-methyl-1,3-thiazol-2-yl)oxamide has a molecular weight of 256.33 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-(4-methyl-1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 44997250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).