N-(aminomethyl)-1,3-thiazole-2-carboxamide

C5H7N3OS — CID 123824838

IUPACN-(aminomethyl)-1,3-thiazole-2-carboxamide
SMILESNCNC(=O)c1nccs1
InChIInChI=1S/C5H7N3OS/c6-3-8-4(9)5-7-1-2-10-5/h1-2H,3,6H2,(H,8,9)
InChIKeyAIMXKUKGLICFPH-UHFFFAOYSA-N
MW157.20 g/mol
LogP-0.21
Rot. Bonds2

About N-(aminomethyl)-1,3-thiazole-2-carboxamide

N-(aminomethyl)-1,3-thiazole-2-carboxamide (PubChem CID 123824838) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is N-(aminomethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(aminomethyl)-1,3-thiazole-2-carboxamide
PubChem CID123824838
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC NameN-(aminomethyl)-1,3-thiazole-2-carboxamide
SMILESNCNC(=O)c1nccs1
InChIInChI=1S/C5H7N3OS/c6-3-8-4(9)5-7-1-2-10-5/h1-2H,3,6H2,(H,8,9)
InChIKeyAIMXKUKGLICFPH-UHFFFAOYSA-N
XLogP-0.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(aminomethyl)-1,3-thiazole-2-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-pentyl-1,3-thiazole-2-carboxamide
CID 110695980
2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid
CID 67154487
N-(3-formamidopropyl)-1,3-thiazole-2-carboxamide
CID 110467918
N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide
CID 91094529
CID 69459233
CID 69459233
N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide
CID 110467928
N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-2-carboxamide
CID 100673789
N-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-carboxamide
CID 110467972
N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide
CID 110467968
carbanide;1,3-thiazole-2-carbonylazanide;tungsten(2+)
CID 178117150
hydroxymethyl 1,3-thiazole-2-carboxylate
CID 145074713
N-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide
CID 142955503

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(aminomethyl)-1,3-thiazole-2-carboxamide (CID 123824838) is N-(aminomethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(aminomethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(aminomethyl)-1,3-thiazole-2-carboxamide is NCNC(=O)c1nccs1.
What is the InChIKey of N-(aminomethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is AIMXKUKGLICFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c6-3-8-4(9)5-7-1-2-10-5/h1-2H,3,6H2,(H,8,9).
What are the key properties of N-(aminomethyl)-1,3-thiazole-2-carboxamide?
N-(aminomethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 157.20 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 123824838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).