2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide

C9H13N3OS — CID 94256521

IUPAC2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1csc(CN)n1
InChIInChI=1S/C9H13N3OS/c1-2-3-11-8(13)4-7-6-14-9(5-10)12-7/h2,6H,1,3-5,10H2,(H,11,13)
InChIKeyHBIXNSWEWRYPKD-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.45
Rot. Bonds5

About 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide (PubChem CID 94256521) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
PubChem CID94256521
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1csc(CN)n1
InChIInChI=1S/C9H13N3OS/c1-2-3-11-8(13)4-7-6-14-9(5-10)12-7/h2,6H,1,3-5,10H2,(H,11,13)
InChIKeyHBIXNSWEWRYPKD-UHFFFAOYSA-N
XLogP0.45
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 110374660
2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 110389752
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 94256775
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-hexylacetamide
CID 82547831
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9399778
N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 27396581
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547725
4-[[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoic acid
CID 110450777
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 9399582
4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 82547522
[2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327942
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide
CID 82112319

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide (CID 94256521) is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide is C=CCNC(=O)Cc1csc(CN)n1.
What is the InChIKey of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
The InChIKey is HBIXNSWEWRYPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-2-3-11-8(13)4-7-6-14-9(5-10)12-7/h2,6H,1,3-5,10H2,(H,11,13).
What are the key properties of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide has a molecular weight of 211.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 94256521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).