N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide

C15H15N5O2S — CID 2945668

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCCc1nnc(NC(=O)CCn2cnc3ccccc3c2=O)s1
InChIInChI=1S/C15H15N5O2S/c1-2-13-18-19-15(23-13)17-12(21)7-8-20-9-16-11-6-4-3-5-10(11)14(20)22/h3-6,9H,2,7-8H2,1H3,(H,17,19,21)
InChIKeyMGBOPNNWOTVTCS-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.84
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 2945668) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID2945668
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCCc1nnc(NC(=O)CCn2cnc3ccccc3c2=O)s1
InChIInChI=1S/C15H15N5O2S/c1-2-13-18-19-15(23-13)17-12(21)7-8-20-9-16-11-6-4-3-5-10(11)14(20)22/h3-6,9H,2,7-8H2,1H3,(H,17,19,21)
InChIKeyMGBOPNNWOTVTCS-UHFFFAOYSA-N
XLogP1.84
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 2945668) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide is CCc1nnc(NC(=O)CCn2cnc3ccccc3c2=O)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is MGBOPNNWOTVTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-2-13-18-19-15(23-13)17-12(21)7-8-20-9-16-11-6-4-3-5-10(11)14(20)22/h3-6,9H,2,7-8H2,1H3,(H,17,19,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 329.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 2945668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).