2-[acetyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C13H21N3O2S — CID 4082584

IUPAC2-[acetyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCCCCN(CC(=O)Nc1nc(C)cs1)C(C)=O
InChIInChI=1S/C13H21N3O2S/c1-4-5-6-7-16(11(3)17)8-12(18)15-13-14-10(2)9-19-13/h9H,4-8H2,1-3H3,(H,14,15,18)
InChIKeyMVQJIEMLQSDGPK-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.43
Rot. Bonds7

About 2-[acetyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[acetyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 4082584) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[acetyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[acetyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID4082584
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-[acetyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCCCCN(CC(=O)Nc1nc(C)cs1)C(C)=O
InChIInChI=1S/C13H21N3O2S/c1-4-5-6-7-16(11(3)17)8-12(18)15-13-14-10(2)9-19-13/h9H,4-8H2,1-3H3,(H,14,15,18)
InChIKeyMVQJIEMLQSDGPK-UHFFFAOYSA-N
XLogP2.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.43
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-[acetyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[acetyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 4082584) is 2-[acetyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[acetyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[acetyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CCCCCN(CC(=O)Nc1nc(C)cs1)C(C)=O.
What is the InChIKey of 2-[acetyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is MVQJIEMLQSDGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-4-5-6-7-16(11(3)17)8-12(18)15-13-14-10(2)9-19-13/h9H,4-8H2,1-3H3,(H,14,15,18).
What are the key properties of 2-[acetyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[acetyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 283.40 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(pentyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4082584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).