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

C10H16N4O2S — CID 106344945

IUPAC2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide
SMILESCC(C)C(NC(=O)Cc1csc(N)n1)C(N)=O
InChIInChI=1S/C10H16N4O2S/c1-5(2)8(9(11)16)14-7(15)3-6-4-17-10(12)13-6/h4-5,8H,3H2,1-2H3,(H2,11,16)(H2,12,13)(H,14,15)
InChIKeyLPNZBPMLDRSUDG-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.11
Rot. Bonds5

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

2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide (PubChem CID 106344945) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide
PubChem CID106344945
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide
SMILESCC(C)C(NC(=O)Cc1csc(N)n1)C(N)=O
InChIInChI=1S/C10H16N4O2S/c1-5(2)8(9(11)16)14-7(15)3-6-4-17-10(12)13-6/h4-5,8H,3H2,1-2H3,(H2,11,16)(H2,12,13)(H,14,15)
InChIKeyLPNZBPMLDRSUDG-UHFFFAOYSA-N
XLogP-0.11
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide
CID 62798707
2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide
CID 62797095
2-(2-amino-1,3-thiazol-4-yl)-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65049027
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-[1-(2-methylphenyl)ethyl]acetamide
CID 62798043
methyl 2-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 106347390
(2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 107564975
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide
CID 62798369
2-(2-amino-1,3-thiazol-4-yl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 62798011
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 62799997
(2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid
CID 62799107
2-(2-amino-1,3-thiazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 55120172

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide (CID 106344945) is 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide is CC(C)C(NC(=O)Cc1csc(N)n1)C(N)=O.
What is the InChIKey of 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide?
The InChIKey is LPNZBPMLDRSUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-5(2)8(9(11)16)14-7(15)3-6-4-17-10(12)13-6/h4-5,8H,3H2,1-2H3,(H2,11,16)(H2,12,13)(H,14,15).
What are the key properties of 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide?
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide has a molecular weight of 256.33 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide is sourced from PubChem (CID 106344945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).