2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide

C11H19N3OS — CID 103461497

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide
SMILESCCC(C)(C)CNC(=O)Cc1csc(N)n1
InChIInChI=1S/C11H19N3OS/c1-4-11(2,3)7-13-9(15)5-8-6-16-10(12)14-8/h6H,4-5,7H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyFTYJFUPZAFNWSN-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.82
Rot. Bonds5

About 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide (PubChem CID 103461497) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide
PubChem CID103461497
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide
SMILESCCC(C)(C)CNC(=O)Cc1csc(N)n1
InChIInChI=1S/C11H19N3OS/c1-4-11(2,3)7-13-9(15)5-8-6-16-10(12)14-8/h6H,4-5,7H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyFTYJFUPZAFNWSN-UHFFFAOYSA-N
XLogP1.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 115430327
2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 104761336
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62795554
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106276823
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
2-(2-amino-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 63227328
2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982
2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide
CID 62797095
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanoic acid
CID 64685300
2-(2-amino-1,3-thiazol-4-yl)-N-[(4-ethylcyclohexyl)methyl]acetamide
CID 62799282
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
(2S)-2-amino-3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 87289710

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide (CID 103461497) is 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide is CCC(C)(C)CNC(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide?
The InChIKey is FTYJFUPZAFNWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-4-11(2,3)7-13-9(15)5-8-6-16-10(12)14-8/h6H,4-5,7H2,1-3H3,(H2,12,14)(H,13,15).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide has a molecular weight of 241.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide is sourced from PubChem (CID 103461497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).