(2R)-2-[(2R)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

C20H24N6O3S — CID 95793794

IUPAC(2R)-2-[(2R)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)s1
InChIInChI=1S/C20H24N6O3S/c1-3-15-24-25-19(30-15)21-17(28)12(2)26-11-10-20(9-8-16(26)27)22-14-7-5-4-6-13(14)18(29)23-20/h4-7,12,22H,3,8-11H2,1-2H3,(H,23,29)(H,21,25,28)/t12-,20-/m1/s1
InChIKeyLBJCGIXLVREFOW-MPBGBICISA-N
MW428.52 g/mol
LogP1.99
Rot. Bonds4

About (2R)-2-[(2R)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

(2R)-2-[(2R)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 95793794) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is (2R)-2-[(2R)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(2R)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID95793794
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC Name(2R)-2-[(2R)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)s1
InChIInChI=1S/C20H24N6O3S/c1-3-15-24-25-19(30-15)21-17(28)12(2)26-11-10-20(9-8-16(26)27)22-14-7-5-4-6-13(14)18(29)23-20/h4-7,12,22H,3,8-11H2,1-2H3,(H,23,29)(H,21,25,28)/t12-,20-/m1/s1
InChIKeyLBJCGIXLVREFOW-MPBGBICISA-N
XLogP1.99
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[(2R)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(5-ethyl-1,3,4-thiadiazol-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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-[(2R)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (CID 95793794) is (2R)-2-[(2R)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[(2R)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-[(2R)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is CCc1nnc(NC(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)s1.
What is the InChIKey of (2R)-2-[(2R)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is LBJCGIXLVREFOW-MPBGBICISA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-3-15-24-25-19(30-15)21-17(28)12(2)26-11-10-20(9-8-16(26)27)22-14-7-5-4-6-13(14)18(29)23-20/h4-7,12,22H,3,8-11H2,1-2H3,(H,23,29)(H,21,25,28)/t12-,20-/m1/s1.
What are the key properties of (2R)-2-[(2R)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
(2R)-2-[(2R)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 428.52 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 95793794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).