N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide

C9H13N3O2S — CID 84557796

IUPACN-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)NCCCNC(=O)c1cscn1
InChIInChI=1S/C9H13N3O2S/c1-7(13)10-3-2-4-11-9(14)8-5-15-6-12-8/h5-6H,2-4H2,1H3,(H,10,13)(H,11,14)
InChIKeyZMXZDOHCOMQKER-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.40
Rot. Bonds5

About N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide

N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide (PubChem CID 84557796) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide
PubChem CID84557796
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)NCCCNC(=O)c1cscn1
InChIInChI=1S/C9H13N3O2S/c1-7(13)10-3-2-4-11-9(14)8-5-15-6-12-8/h5-6H,2-4H2,1H3,(H,10,13)(H,11,14)
InChIKeyZMXZDOHCOMQKER-UHFFFAOYSA-N
XLogP0.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide 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-butyl-1,3-thiazole-4-carboxamide;ethane
CID 176555037
N-pentyl-1,3-thiazole-4-carboxamide
CID 62045475
N-(4-bromobutyl)-1,3-thiazole-4-carboxamide
CID 106845763
11-(1,3-thiazole-4-carbonylamino)undecanoic acid
CID 84556786
N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 63038055
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 110462196
2-(1,3-thiazole-4-carbonylamino)ethyl carbamate
CID 83205186
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 112689477
N-[2-[ethyl(propyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 103719294
N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 63038406
4-[3-(1,3-thiazole-4-carbonylamino)propyl]benzenesulfonyl chloride
CID 63024069
N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide
CID 76982242

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide (CID 84557796) is N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide is CC(=O)NCCCNC(=O)c1cscn1.
What is the InChIKey of N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZMXZDOHCOMQKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-7(13)10-3-2-4-11-9(14)8-5-15-6-12-8/h5-6H,2-4H2,1H3,(H,10,13)(H,11,14).
What are the key properties of N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide?
N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84557796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).