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

C12H21N3OS — CID 82547831

IUPAC2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-hexylacetamide
SMILESCCCCCCNC(=O)Cc1csc(CN)n1
InChIInChI=1S/C12H21N3OS/c1-2-3-4-5-6-14-11(16)7-10-9-17-12(8-13)15-10/h9H,2-8,13H2,1H3,(H,14,16)
InChIKeyUZGBDVYHSITREP-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.84
Rot. Bonds8

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

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-hexylacetamide (PubChem CID 82547831) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-hexylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-hexylacetamide
PubChem CID82547831
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-hexylacetamide
SMILESCCCCCCNC(=O)Cc1csc(CN)n1
InChIInChI=1S/C12H21N3OS/c1-2-3-4-5-6-14-11(16)7-10-9-17-12(8-13)15-10/h9H,2-8,13H2,1H3,(H,14,16)
InChIKeyUZGBDVYHSITREP-UHFFFAOYSA-N
XLogP1.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 94256775
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylbutyl)acetamide
CID 82547503
N-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484487
N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 32646390
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
4-[[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 82547800
N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484403
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
(4-pentyl-1,3-thiazol-2-yl)methanamine
CID 69371976
2-(aminomethyl)-N-(3-butoxypropyl)-1,3-thiazole-4-carboxamide
CID 113265997
2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide
CID 41211843

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-hexylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-hexylacetamide (CID 82547831) is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-hexylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-hexylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-hexylacetamide is CCCCCCNC(=O)Cc1csc(CN)n1.
What is the InChIKey of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-hexylacetamide?
The InChIKey is UZGBDVYHSITREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-2-3-4-5-6-14-11(16)7-10-9-17-12(8-13)15-10/h9H,2-8,13H2,1H3,(H,14,16).
What are the key properties of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-hexylacetamide?
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-hexylacetamide has a molecular weight of 255.39 g/mol, XLogP of 1.84, 8 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-hexylacetamide is sourced from PubChem (CID 82547831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).