(3S)-5-phenyl-3-[(5-thieno[2,3-b]pyridin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one

C24H16N6O2S — CID 146407058

IUPAC(3S)-5-phenyl-3-[(5-thieno[2,3-b]pyridin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2cc3cccnc3s2)o1
InChIInChI=1S/C24H16N6O2S/c31-21-20(27-19(14-7-2-1-3-8-14)16-10-4-5-11-17(16)26-21)28-24-30-29-22(32-24)18-13-15-9-6-12-25-23(15)33-18/h1-13,20H,(H,26,31)(H,28,30)/t20-/m1/s1
InChIKeyGFCIWLMUVMPPDV-HXUWFJFHSA-N
MW452.50 g/mol
LogP4.57
Rot. Bonds4

About (3S)-5-phenyl-3-[(5-thieno[2,3-b]pyridin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one

(3S)-5-phenyl-3-[(5-thieno[2,3-b]pyridin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 146407058) has the molecular formula C24H16N6O2S and a molecular weight of 452.50 g/mol. Its IUPAC name is (3S)-5-phenyl-3-[(5-thieno[2,3-b]pyridin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name(3S)-5-phenyl-3-[(5-thieno[2,3-b]pyridin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID146407058
Molecular FormulaC24H16N6O2S
Molecular Weight452.50 g/mol
Exact Mass452.11
IUPAC Name(3S)-5-phenyl-3-[(5-thieno[2,3-b]pyridin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2cc3cccnc3s2)o1
InChIInChI=1S/C24H16N6O2S/c31-21-20(27-19(14-7-2-1-3-8-14)16-10-4-5-11-17(16)26-21)28-24-30-29-22(32-24)18-13-15-9-6-12-25-23(15)33-18/h1-13,20H,(H,26,31)(H,28,30)/t20-/m1/s1
InChIKeyGFCIWLMUVMPPDV-HXUWFJFHSA-N
XLogP4.57
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3S)-5-phenyl-3-[(5-thieno[2,3-b]pyridin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one with MolForge

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Related Compounds

(3S)-5-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 146407007
(3R)-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461408
3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461074
3-[[5-(3-morpholin-4-ylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461214
3-[[5-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 155124757
5-phenyl-3-[[5-(2-phenylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 142552708
3-[[5-[5-(dimethylamino)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461454
5-phenyl-3-[[5-(1-phenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 159333458
3-[[5-[1-(2-hydroxyethyl)indol-7-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 145236558
(3S)-3-[[5-[3-(2-hydroxyethyl)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 138736827
(3S)-3-[[5-(6-methoxyquinolin-4-yl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461393
(3S)-3-[[5-[5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-2-(trifluoromethyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461699

Frequently Asked Questions

What is the IUPAC name of (3S)-5-phenyl-3-[(5-thieno[2,3-b]pyridin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of (3S)-5-phenyl-3-[(5-thieno[2,3-b]pyridin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one (CID 146407058) is (3S)-5-phenyl-3-[(5-thieno[2,3-b]pyridin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for (3S)-5-phenyl-3-[(5-thieno[2,3-b]pyridin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for (3S)-5-phenyl-3-[(5-thieno[2,3-b]pyridin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2cc3cccnc3s2)o1.
What is the InChIKey of (3S)-5-phenyl-3-[(5-thieno[2,3-b]pyridin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is GFCIWLMUVMPPDV-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H16N6O2S/c31-21-20(27-19(14-7-2-1-3-8-14)16-10-4-5-11-17(16)26-21)28-24-30-29-22(32-24)18-13-15-9-6-12-25-23(15)33-18/h1-13,20H,(H,26,31)(H,28,30)/t20-/m1/s1.
What are the key properties of (3S)-5-phenyl-3-[(5-thieno[2,3-b]pyridin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
(3S)-5-phenyl-3-[(5-thieno[2,3-b]pyridin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 452.50 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-phenyl-3-[(5-thieno[2,3-b]pyridin-2-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 146407058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).