N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide

C19H18F3N3O2S — CID 86898439

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide
SMILESCc1cc(C)c(CNC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c(=O)[nH]1
InChIInChI=1S/C19H18F3N3O2S/c1-10-7-11(2)24-18(27)13(10)9-23-16(26)5-6-17-25-14-8-12(19(20,21)22)3-4-15(14)28-17/h3-4,7-8H,5-6,9H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyAWORIIDETIEEQW-UHFFFAOYSA-N
MW409.43 g/mol
LogP3.87
Rot. Bonds5

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide (PubChem CID 86898439) has the molecular formula C19H18F3N3O2S and a molecular weight of 409.43 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide
PubChem CID86898439
Molecular FormulaC19H18F3N3O2S
Molecular Weight409.43 g/mol
Exact Mass409.11
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide
SMILESCc1cc(C)c(CNC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c(=O)[nH]1
InChIInChI=1S/C19H18F3N3O2S/c1-10-7-11(2)24-18(27)13(10)9-23-16(26)5-6-17-25-14-8-12(19(20,21)22)3-4-15(14)28-17/h3-4,7-8H,5-6,9H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyAWORIIDETIEEQW-UHFFFAOYSA-N
XLogP3.87
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide 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

2,2-dimethyl-N-[2-[3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanoylamino]ethyl]propanamide
CID 86897594
N-(5-ethyl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide
CID 86899011
N-(3,5-difluoro-4-methoxyphenyl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide
CID 86897505
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 86877161
2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine
CID 60835878
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]hexanamide
CID 38743387
3-(1-benzofuran-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 32695433
N-methyl-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propan-1-amine
CID 43152023
2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride
CID 155821832
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 95789780
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide
CID 71569515

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide (CID 86898439) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide is Cc1cc(C)c(CNC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide?
The InChIKey is AWORIIDETIEEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2S/c1-10-7-11(2)24-18(27)13(10)9-23-16(26)5-6-17-25-14-8-12(19(20,21)22)3-4-15(14)28-17/h3-4,7-8H,5-6,9H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide has a molecular weight of 409.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide is sourced from PubChem (CID 86898439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).