3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide

C11H18N4O2S — CID 106276823

IUPAC3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)Cc1csc(N)n1
InChIInChI=1S/C11H18N4O2S/c1-11(2,9(17)13-3)6-14-8(16)4-7-5-18-10(12)15-7/h5H,4,6H2,1-3H3,(H2,12,15)(H,13,17)(H,14,16)
InChIKeyVAKFFUHOFHEQIX-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.16
Rot. Bonds5

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

3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106276823) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide
PubChem CID106276823
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)Cc1csc(N)n1
InChIInChI=1S/C11H18N4O2S/c1-11(2,9(17)13-3)6-14-8(16)4-7-5-18-10(12)15-7/h5H,4,6H2,1-3H3,(H2,12,15)(H,13,17)(H,14,16)
InChIKeyVAKFFUHOFHEQIX-UHFFFAOYSA-N
XLogP0.16
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide
CID 103461497
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
2-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 115430327
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
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-[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
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798228

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide (CID 106276823) is 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC(=O)Cc1csc(N)n1.
What is the InChIKey of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is VAKFFUHOFHEQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-11(2,9(17)13-3)6-14-8(16)4-7-5-18-10(12)15-7/h5H,4,6H2,1-3H3,(H2,12,15)(H,13,17)(H,14,16).
What are the key properties of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide?
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 270.36 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106276823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).