2-[dimethylcarbamoyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide

C13H22N4O2S — CID 3249615

IUPAC2-[dimethylcarbamoyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCCCCN(CC(=O)Nc1nccs1)C(=O)N(C)C
InChIInChI=1S/C13H22N4O2S/c1-4-5-6-8-17(13(19)16(2)3)10-11(18)15-12-14-7-9-20-12/h7,9H,4-6,8,10H2,1-3H3,(H,14,15,18)
InChIKeyFWUYMOHMPXYXDV-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.26
Rot. Bonds7

About 2-[dimethylcarbamoyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide

2-[dimethylcarbamoyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3249615) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[dimethylcarbamoyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[dimethylcarbamoyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3249615
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-[dimethylcarbamoyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCCCCN(CC(=O)Nc1nccs1)C(=O)N(C)C
InChIInChI=1S/C13H22N4O2S/c1-4-5-6-8-17(13(19)16(2)3)10-11(18)15-12-14-7-9-20-12/h7,9H,4-6,8,10H2,1-3H3,(H,14,15,18)
InChIKeyFWUYMOHMPXYXDV-UHFFFAOYSA-N
XLogP2.26
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[dimethylcarbamoyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[dimethylcarbamoyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide (CID 3249615) is 2-[dimethylcarbamoyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[dimethylcarbamoyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[dimethylcarbamoyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide is CCCCCN(CC(=O)Nc1nccs1)C(=O)N(C)C.
What is the InChIKey of 2-[dimethylcarbamoyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FWUYMOHMPXYXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-4-5-6-8-17(13(19)16(2)3)10-11(18)15-12-14-7-9-20-12/h7,9H,4-6,8,10H2,1-3H3,(H,14,15,18).
What are the key properties of 2-[dimethylcarbamoyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide?
2-[dimethylcarbamoyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylcarbamoyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3249615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).