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

C14H13N5O2S2 — CID 2701509

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCSc1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1
InChIInChI=1S/C14H13N5O2S2/c1-2-22-14-18-17-13(23-14)16-11(20)7-19-8-15-10-6-4-3-5-9(10)12(19)21/h3-6,8H,2,7H2,1H3,(H,16,17,20)
InChIKeyNKKZVFIZBSWQEX-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.00
Rot. Bonds5

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

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 2701509) has the molecular formula C14H13N5O2S2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID2701509
Molecular FormulaC14H13N5O2S2
Molecular Weight347.43 g/mol
Exact Mass347.05
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCSc1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1
InChIInChI=1S/C14H13N5O2S2/c1-2-22-14-18-17-13(23-14)16-11(20)7-19-8-15-10-6-4-3-5-9(10)12(19)21/h3-6,8H,2,7H2,1H3,(H,16,17,20)
InChIKeyNKKZVFIZBSWQEX-UHFFFAOYSA-N
XLogP2.00
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 2701509) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide is CCSc1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is NKKZVFIZBSWQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S2/c1-2-22-14-18-17-13(23-14)16-11(20)7-19-8-15-10-6-4-3-5-9(10)12(19)21/h3-6,8H,2,7H2,1H3,(H,16,17,20).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 347.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 2701509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).