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

C13H16N4OS — CID 115749394

IUPAC3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
SMILESCC(CC(N)=O)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C13H16N4OS/c1-9(6-12(14)18)16-7-10-8-19-13(17-10)11-4-2-3-5-15-11/h2-5,8-9,16H,6-7H2,1H3,(H2,14,18)
InChIKeyCNCVDAXWHOOHHK-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.56
Rot. Bonds6

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

3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide (PubChem CID 115749394) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide.

Molecular Properties

Compound Name3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
PubChem CID115749394
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
SMILESCC(CC(N)=O)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C13H16N4OS/c1-9(6-12(14)18)16-7-10-8-19-13(17-10)11-4-2-3-5-15-11/h2-5,8-9,16H,6-7H2,1H3,(H2,14,18)
InChIKeyCNCVDAXWHOOHHK-UHFFFAOYSA-N
XLogP1.56
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

Analyze 3-[(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]pent-4-en-2-amine
CID 115633197
6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine
CID 43234312
(1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 78950455
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
CID 60863942
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63598448
1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 115768471
1-(furan-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234418
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
(1S)-1-(2-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 51929924
N-propan-2-yl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115582676
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108748809
3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108748929

Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide?
The IUPAC name of 3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide (CID 115749394) is 3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide.
What is the SMILES notation for 3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide?
The canonical SMILES for 3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide is CC(CC(N)=O)NCc1csc(-c2ccccn2)n1.
What is the InChIKey of 3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide?
The InChIKey is CNCVDAXWHOOHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9(6-12(14)18)16-7-10-8-19-13(17-10)11-4-2-3-5-15-11/h2-5,8-9,16H,6-7H2,1H3,(H2,14,18).
What are the key properties of 3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide?
3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide has a molecular weight of 276.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide is sourced from PubChem (CID 115749394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).