2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide

C13H23N3OS — CID 106045094

IUPAC2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNCCc1csc(C)n1
InChIInChI=1S/C13H23N3OS/c1-4-5-10(2)15-13(17)8-14-7-6-12-9-18-11(3)16-12/h9-10,14H,4-8H2,1-3H3,(H,15,17)
InChIKeyPBVGQABBSKESAL-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.89
Rot. Bonds8

About 2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide

2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide (PubChem CID 106045094) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide
PubChem CID106045094
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNCCc1csc(C)n1
InChIInChI=1S/C13H23N3OS/c1-4-5-10(2)15-13(17)8-14-7-6-12-9-18-11(3)16-12/h9-10,14H,4-8H2,1-3H3,(H,15,17)
InChIKeyPBVGQABBSKESAL-UHFFFAOYSA-N
XLogP1.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid
CID 106036222
3-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]butanoic acid
CID 119347689
1-(azepan-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanone
CID 106045404
2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoic acid
CID 106035939
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
(2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 106047524
N-(4-bromophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]acetamide
CID 106045402
2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 43630580
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
(2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid
CID 119369704
3-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid
CID 43360903
(2S)-N-[(2S)-butan-2-yl]-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]propanamide
CID 95590660

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide (CID 106045094) is 2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CNCCc1csc(C)n1.
What is the InChIKey of 2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide?
The InChIKey is PBVGQABBSKESAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-4-5-10(2)15-13(17)8-14-7-6-12-9-18-11(3)16-12/h9-10,14H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide?
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide has a molecular weight of 269.41 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 106045094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).