1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-propan-2-yl-1,3-thiazol-4-yl]ethanone

C19H20N4OS — CID 143286755

IUPAC1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-propan-2-yl-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(C(C)C)sc1-c1cccc(Nc2cc(C)ccn2)n1
InChIInChI=1S/C19H20N4OS/c1-11(2)19-23-17(13(4)24)18(25-19)14-6-5-7-15(21-14)22-16-10-12(3)8-9-20-16/h5-11H,1-4H3,(H,20,21,22)
InChIKeySSYTXIHPRKAKEV-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.98
Rot. Bonds5

About 1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-propan-2-yl-1,3-thiazol-4-yl]ethanone

1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-propan-2-yl-1,3-thiazol-4-yl]ethanone (PubChem CID 143286755) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-propan-2-yl-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-propan-2-yl-1,3-thiazol-4-yl]ethanone
PubChem CID143286755
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-propan-2-yl-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(C(C)C)sc1-c1cccc(Nc2cc(C)ccn2)n1
InChIInChI=1S/C19H20N4OS/c1-11(2)19-23-17(13(4)24)18(25-19)14-6-5-7-15(21-14)22-16-10-12(3)8-9-20-16/h5-11H,1-4H3,(H,20,21,22)
InChIKeySSYTXIHPRKAKEV-UHFFFAOYSA-N
XLogP4.98
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-propan-2-yl-1,3-thiazol-4-yl]ethanone 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 1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-propan-2-yl-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-propan-2-yl-1,3-thiazol-4-yl]ethanone (CID 143286755) is 1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-propan-2-yl-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-propan-2-yl-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-propan-2-yl-1,3-thiazol-4-yl]ethanone is CC(=O)c1nc(C(C)C)sc1-c1cccc(Nc2cc(C)ccn2)n1.
What is the InChIKey of 1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-propan-2-yl-1,3-thiazol-4-yl]ethanone?
The InChIKey is SSYTXIHPRKAKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-11(2)19-23-17(13(4)24)18(25-19)14-6-5-7-15(21-14)22-16-10-12(3)8-9-20-16/h5-11H,1-4H3,(H,20,21,22).
What are the key properties of 1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-propan-2-yl-1,3-thiazol-4-yl]ethanone?
1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-propan-2-yl-1,3-thiazol-4-yl]ethanone has a molecular weight of 352.46 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-propan-2-yl-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 143286755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).