2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide

C10H17N3OS — CID 62797095

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cc1csc(N)n1
InChIInChI=1S/C10H17N3OS/c1-3-7(4-2)12-9(14)5-8-6-15-10(11)13-8/h6-7H,3-5H2,1-2H3,(H2,11,13)(H,12,14)
InChIKeyJOHNLDRSTDNDBT-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.57
Rot. Bonds5

About 2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide

2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide (PubChem CID 62797095) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide
PubChem CID62797095
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cc1csc(N)n1
InChIInChI=1S/C10H17N3OS/c1-3-7(4-2)12-9(14)5-8-6-15-10(11)13-8/h6-7H,3-5H2,1-2H3,(H2,11,13)(H,12,14)
InChIKeyJOHNLDRSTDNDBT-UHFFFAOYSA-N
XLogP1.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.57
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]-3-methylbutanamide
CID 106344945
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide
CID 62798707
(2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 107564975
2-(2-ethyl-1,3-thiazol-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 110903716
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
(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-(2-fluorophenyl)ethyl]acetamide
CID 62798369
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide
CID 62798402
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(1-hydroxybutan-2-yl)acetamide
CID 82547902
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide (CID 62797095) is 2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide?
The InChIKey is JOHNLDRSTDNDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-7(4-2)12-9(14)5-8-6-15-10(11)13-8/h6-7H,3-5H2,1-2H3,(H2,11,13)(H,12,14).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide has a molecular weight of 227.33 g/mol, XLogP of 1.57, 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-pentan-3-ylacetamide is sourced from PubChem (CID 62797095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).