N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide

C19H20N6O4S2 — CID 2971653

IUPACN-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1nnc(SCC(=O)N2CCOCC2)s1
InChIInChI=1S/C19H20N6O4S2/c26-15(5-6-25-12-20-14-4-2-1-3-13(14)17(25)28)21-18-22-23-19(31-18)30-11-16(27)24-7-9-29-10-8-24/h1-4,12H,5-11H2,(H,21,22,26)
InChIKeyAGEFZSPMJQKGKL-UHFFFAOYSA-N
MW460.54 g/mol
LogP1.23
Rot. Bonds7

About N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 2971653) has the molecular formula C19H20N6O4S2 and a molecular weight of 460.54 g/mol. Its IUPAC name is N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID2971653
Molecular FormulaC19H20N6O4S2
Molecular Weight460.54 g/mol
Exact Mass460.10
IUPAC NameN-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1nnc(SCC(=O)N2CCOCC2)s1
InChIInChI=1S/C19H20N6O4S2/c26-15(5-6-25-12-20-14-4-2-1-3-13(14)17(25)28)21-18-22-23-19(31-18)30-11-16(27)24-7-9-29-10-8-24/h1-4,12H,5-11H2,(H,21,22,26)
InChIKeyAGEFZSPMJQKGKL-UHFFFAOYSA-N
XLogP1.23
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-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

N-[5-[3-(4-methoxyanilino)-3-oxopropyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 2976248
3-[[5-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 2219291
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52521199
N-(2-morpholin-4-yl-2-oxoethyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 5073065
N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 1308273
N-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 2972106
2-ethoxy-N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 7096103
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
N-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 24593522
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 17464931
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
N-[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]butanamide
CID 1084779

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 2971653) is N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)Nc1nnc(SCC(=O)N2CCOCC2)s1.
What is the InChIKey of N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is AGEFZSPMJQKGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4S2/c26-15(5-6-25-12-20-14-4-2-1-3-13(14)17(25)28)21-18-22-23-19(31-18)30-11-16(27)24-7-9-29-10-8-24/h1-4,12H,5-11H2,(H,21,22,26).
What are the key properties of N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 460.54 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 2971653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).