N-(2-methylidene-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)-5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine

C26H22F3N7O2S — CID 135214453

IUPACN-(2-methylidene-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)-5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESC=C1Nc2sccc2C(c2ccccc2)=NC1Nc1nnc(-c2ncc(C(F)(F)F)cc2N2CCOCC2)o1
InChIInChI=1S/C26H22F3N7O2S/c1-15-22(32-20(16-5-3-2-4-6-16)18-7-12-39-24(18)31-15)33-25-35-34-23(38-25)21-19(36-8-10-37-11-9-36)13-17(14-30-21)26(27,28)29/h2-7,12-14,22,31H,1,8-11H2,(H,33,35)
InChIKeyQOMZELRLCGNONI-UHFFFAOYSA-N
MW553.57 g/mol
LogP5.26
Rot. Bonds5

About N-(2-methylidene-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)-5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine

N-(2-methylidene-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)-5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 135214453) has the molecular formula C26H22F3N7O2S and a molecular weight of 553.57 g/mol. Its IUPAC name is N-(2-methylidene-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)-5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylidene-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)-5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine
PubChem CID135214453
Molecular FormulaC26H22F3N7O2S
Molecular Weight553.57 g/mol
Exact Mass553.15
IUPAC NameN-(2-methylidene-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)-5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESC=C1Nc2sccc2C(c2ccccc2)=NC1Nc1nnc(-c2ncc(C(F)(F)F)cc2N2CCOCC2)o1
InChIInChI=1S/C26H22F3N7O2S/c1-15-22(32-20(16-5-3-2-4-6-16)18-7-12-39-24(18)31-15)33-25-35-34-23(38-25)21-19(36-8-10-37-11-9-36)13-17(14-30-21)26(27,28)29/h2-7,12-14,22,31H,1,8-11H2,(H,33,35)
InChIKeyQOMZELRLCGNONI-UHFFFAOYSA-N
XLogP5.26
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.57
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(2-methylidene-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)-5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-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

Frequently Asked Questions

What is the IUPAC name of N-(2-methylidene-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)-5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-methylidene-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)-5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 135214453) is N-(2-methylidene-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)-5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-methylidene-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)-5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-methylidene-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)-5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine is C=C1Nc2sccc2C(c2ccccc2)=NC1Nc1nnc(-c2ncc(C(F)(F)F)cc2N2CCOCC2)o1.
What is the InChIKey of N-(2-methylidene-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)-5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QOMZELRLCGNONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N7O2S/c1-15-22(32-20(16-5-3-2-4-6-16)18-7-12-39-24(18)31-15)33-25-35-34-23(38-25)21-19(36-8-10-37-11-9-36)13-17(14-30-21)26(27,28)29/h2-7,12-14,22,31H,1,8-11H2,(H,33,35).
What are the key properties of N-(2-methylidene-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)-5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine?
N-(2-methylidene-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)-5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 553.57 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidene-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)-5-[3-morpholin-4-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 135214453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).