2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide

C10H13N3O2S — CID 114618458

IUPAC2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
SMILESC=C(C)CNC(=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C10H13N3O2S/c1-6(2)4-11-9(15)8-5-16-10(13-8)12-7(3)14/h5H,1,4H2,2-3H3,(H,11,15)(H,12,13,14)
InChIKeyHCZYEOJYLASTMT-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.41
Rot. Bonds4

About 2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide

2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide (PubChem CID 114618458) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
PubChem CID114618458
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
SMILESC=C(C)CNC(=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C10H13N3O2S/c1-6(2)4-11-9(15)8-5-16-10(13-8)12-7(3)14/h5H,1,4H2,2-3H3,(H,11,15)(H,12,13,14)
InChIKeyHCZYEOJYLASTMT-UHFFFAOYSA-N
XLogP1.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.41
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-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 39162467
2-acetamido-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 55024347
2-acetamido-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 115772815
5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 82009749
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243283
1-[[(2-acetamido-1,3-thiazole-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445121
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43170831
2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 79290954
2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 103712589
2-acetamido-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 64530809
2-acetamido-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide
CID 39900328
2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
CID 71896196

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide (CID 114618458) is 2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide is C=C(C)CNC(=O)c1csc(NC(C)=O)n1.
What is the InChIKey of 2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HCZYEOJYLASTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6(2)4-11-9(15)8-5-16-10(13-8)12-7(3)14/h5H,1,4H2,2-3H3,(H,11,15)(H,12,13,14).
What are the key properties of 2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide?
2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide has a molecular weight of 239.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 114618458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).