N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine

C19H16F3N5OS — CID 133374686

IUPACN-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESCC(C)C(Nc1nc2cc(C(F)(F)F)ccc2s1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C19H16F3N5OS/c1-10(2)15(17-26-16(27-28-17)11-5-7-23-8-6-11)25-18-24-13-9-12(19(20,21)22)3-4-14(13)29-18/h3-10,15H,1-2H3,(H,24,25)
InChIKeyODRVANVYZVEMPF-UHFFFAOYSA-N
MW419.43 g/mol
LogP5.57
Rot. Bonds5

About N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine

N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine (PubChem CID 133374686) has the molecular formula C19H16F3N5OS and a molecular weight of 419.43 g/mol. Its IUPAC name is N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
PubChem CID133374686
Molecular FormulaC19H16F3N5OS
Molecular Weight419.43 g/mol
Exact Mass419.10
IUPAC NameN-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESCC(C)C(Nc1nc2cc(C(F)(F)F)ccc2s1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C19H16F3N5OS/c1-10(2)15(17-26-16(27-28-17)11-5-7-23-8-6-11)25-18-24-13-9-12(19(20,21)22)3-4-14(13)29-18/h3-10,15H,1-2H3,(H,24,25)
InChIKeyODRVANVYZVEMPF-UHFFFAOYSA-N
XLogP5.57
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.43
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine 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

3-methyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]butanamide
CID 103801562
2-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133374654
N-(2,3-dimethylbutyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 64596986
N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide
CID 51133659
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 83279748
N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 166519106
6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine
CID 133472609
N-(2-methylbutyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 63547160
N-(2-methyl-3-methylsulfanylpropyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 63958665
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83288684
N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 43247444
N-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 43247454

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine (CID 133374686) is N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine is CC(C)C(Nc1nc2cc(C(F)(F)F)ccc2s1)c1nc(-c2ccncc2)no1.
What is the InChIKey of N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The InChIKey is ODRVANVYZVEMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5OS/c1-10(2)15(17-26-16(27-28-17)11-5-7-23-8-6-11)25-18-24-13-9-12(19(20,21)22)3-4-14(13)29-18/h3-10,15H,1-2H3,(H,24,25).
What are the key properties of N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine has a molecular weight of 419.43 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 133374686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).