N-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide

C9H11N3OS — CID 130734517

IUPACN-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESC#CCNCc1csc(NC(C)=O)n1
InChIInChI=1S/C9H11N3OS/c1-3-4-10-5-8-6-14-9(12-8)11-7(2)13/h1,6,10H,4-5H2,2H3,(H,11,12,13)
InChIKeyDYSQOQJQFXSXKR-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.82
Rot. Bonds4

About N-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 130734517) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is N-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID130734517
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC NameN-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESC#CCNCc1csc(NC(C)=O)n1
InChIInChI=1S/C9H11N3OS/c1-3-4-10-5-8-6-14-9(12-8)11-7(2)13/h1,6,10H,4-5H2,2H3,(H,11,12,13)
InChIKeyDYSQOQJQFXSXKR-UHFFFAOYSA-N
XLogP0.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 28780721
2-[(2-acetamido-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 43466795
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 47263059
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 115614174
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79287156
N-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide
CID 154216694
(E)-N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]-2-[(Z)-prop-1-enyl]pent-2-en-4-ynamide
CID 142213573
N-[4-[(2-acetyl-5-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 86788063
4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 66438656
N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide
CID 110717958

Frequently Asked Questions

What is the IUPAC name of N-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide (CID 130734517) is N-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide is C#CCNCc1csc(NC(C)=O)n1.
What is the InChIKey of N-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DYSQOQJQFXSXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-3-4-10-5-8-6-14-9(12-8)11-7(2)13/h1,6,10H,4-5H2,2H3,(H,11,12,13).
What are the key properties of N-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 209.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(prop-2-ynylamino)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 130734517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).