2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide

C13H14N4OS — CID 110483352

IUPAC2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NCC2(c3ccccn3)CC2)cs1
InChIInChI=1S/C13H14N4OS/c14-12-17-9(7-19-12)11(18)16-8-13(4-5-13)10-3-1-2-6-15-10/h1-3,6-7H,4-5,8H2,(H2,14,17)(H,16,18)
InChIKeyJNPLHMVIMOFOGS-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.58
Rot. Bonds4

About 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide

2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 110483352) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID110483352
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NCC2(c3ccccn3)CC2)cs1
InChIInChI=1S/C13H14N4OS/c14-12-17-9(7-19-12)11(18)16-8-13(4-5-13)10-3-1-2-6-15-10/h1-3,6-7H,4-5,8H2,(H2,14,17)(H,16,18)
InChIKeyJNPLHMVIMOFOGS-UHFFFAOYSA-N
XLogP1.58
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide (CID 110483352) is 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)NCC2(c3ccccn3)CC2)cs1.
What is the InChIKey of 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JNPLHMVIMOFOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c14-12-17-9(7-19-12)11(18)16-8-13(4-5-13)10-3-1-2-6-15-10/h1-3,6-7H,4-5,8H2,(H2,14,17)(H,16,18).
What are the key properties of 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110483352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).