4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide

C13H16N4OS — CID 60863942

IUPAC4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
SMILESNC(=O)CCCNCc1csc(-c2ccccn2)n1
InChIInChI=1S/C13H16N4OS/c14-12(18)5-3-6-15-8-10-9-19-13(17-10)11-4-1-2-7-16-11/h1-2,4,7,9,15H,3,5-6,8H2,(H2,14,18)
InChIKeyPAXAKZMQGIDJKP-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.56
Rot. Bonds7

About 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide

4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide (PubChem CID 60863942) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
PubChem CID60863942
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
SMILESNC(=O)CCCNCc1csc(-c2ccccn2)n1
InChIInChI=1S/C13H16N4OS/c14-12(18)5-3-6-15-8-10-9-19-13(17-10)11-4-1-2-7-16-11/h1-2,4,7,9,15H,3,5-6,8H2,(H2,14,18)
InChIKeyPAXAKZMQGIDJKP-UHFFFAOYSA-N
XLogP1.56
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide 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-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 60893739
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pentan-1-ol
CID 107302977
3-methylsulfinyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115632903
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine
CID 78921085
N-propan-2-yl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115582676
3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
CID 115749394
2-methylsulfonyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 47267496
3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115576823
3-propan-2-yloxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 43234375
2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234329
2-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethoxy]ethanol
CID 43234376

Frequently Asked Questions

What is the IUPAC name of 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide?
The IUPAC name of 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide (CID 60863942) is 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide.
What is the SMILES notation for 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide?
The canonical SMILES for 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide is NC(=O)CCCNCc1csc(-c2ccccn2)n1.
What is the InChIKey of 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide?
The InChIKey is PAXAKZMQGIDJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c14-12(18)5-3-6-15-8-10-9-19-13(17-10)11-4-1-2-7-16-11/h1-2,4,7,9,15H,3,5-6,8H2,(H2,14,18).
What are the key properties of 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide?
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide has a molecular weight of 276.37 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide is sourced from PubChem (CID 60863942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).