N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide

C15H13N5O2S — CID 2669788

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H13N5O2S/c21-12(17-15-19-18-13(23-15)9-5-6-9)7-20-8-16-11-4-2-1-3-10(11)14(20)22/h1-4,8-9H,5-7H2,(H,17,19,21)
InChIKeyABOVPCVHINLEDU-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.76
Rot. Bonds4

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 2669788) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID2669788
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H13N5O2S/c21-12(17-15-19-18-13(23-15)9-5-6-9)7-20-8-16-11-4-2-1-3-10(11)14(20)22/h1-4,8-9H,5-7H2,(H,17,19,21)
InChIKeyABOVPCVHINLEDU-UHFFFAOYSA-N
XLogP1.76
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 2669788) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is ABOVPCVHINLEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c21-12(17-15-19-18-13(23-15)9-5-6-9)7-20-8-16-11-4-2-1-3-10(11)14(20)22/h1-4,8-9H,5-7H2,(H,17,19,21).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 327.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 2669788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).