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

C9H15N3OS — CID 94256775

IUPAC2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1csc(CN)n1
InChIInChI=1S/C9H15N3OS/c1-2-3-11-8(13)4-7-6-14-9(5-10)12-7/h6H,2-5,10H2,1H3,(H,11,13)
InChIKeyWFKJVSQAGOZXSC-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.67
Rot. Bonds5

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

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide (PubChem CID 94256775) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide
PubChem CID94256775
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1csc(CN)n1
InChIInChI=1S/C9H15N3OS/c1-2-3-11-8(13)4-7-6-14-9(5-10)12-7/h6H,2-5,10H2,1H3,(H,11,13)
InChIKeyWFKJVSQAGOZXSC-UHFFFAOYSA-N
XLogP0.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-hexylacetamide
CID 82547831
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110450950
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 94256521
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylbutyl)acetamide
CID 82547503
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 82548086
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 110341832
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82547498
2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82154993
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 82547684
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 82547707
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
4-[[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoic acid
CID 110450777

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide (CID 94256775) is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide is CCCNC(=O)Cc1csc(CN)n1.
What is the InChIKey of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide?
The InChIKey is WFKJVSQAGOZXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-3-11-8(13)4-7-6-14-9(5-10)12-7/h6H,2-5,10H2,1H3,(H,11,13).
What are the key properties of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide?
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide has a molecular weight of 213.31 g/mol, XLogP of 0.67, 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-propylacetamide is sourced from PubChem (CID 94256775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).