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

C16H17N5O3S2 — CID 17432004

IUPAC2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCSc1nnc(NC(=O)Cn2c(=O)n(CC)c(=O)c3ccccc32)s1
InChIInChI=1S/C16H17N5O3S2/c1-3-20-13(23)10-7-5-6-8-11(10)21(16(20)24)9-12(22)17-14-18-19-15(26-14)25-4-2/h5-8H,3-4,9H2,1-2H3,(H,17,18,22)
InChIKeyVNMNJMINKGKGPB-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.79
Rot. Bonds6

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

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 17432004) has the molecular formula C16H17N5O3S2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID17432004
Molecular FormulaC16H17N5O3S2
Molecular Weight391.48 g/mol
Exact Mass391.08
IUPAC Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCSc1nnc(NC(=O)Cn2c(=O)n(CC)c(=O)c3ccccc32)s1
InChIInChI=1S/C16H17N5O3S2/c1-3-20-13(23)10-7-5-6-8-11(10)21(16(20)24)9-12(22)17-14-18-19-15(26-14)25-4-2/h5-8H,3-4,9H2,1-2H3,(H,17,18,22)
InChIKeyVNMNJMINKGKGPB-UHFFFAOYSA-N
XLogP1.79
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 17473566
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51248297
2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 56501159
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 29413242
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 42353568
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55432888
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55987560
N-(1H-benzimidazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 24508854
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide
CID 4144657

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (CID 17432004) is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is CCSc1nnc(NC(=O)Cn2c(=O)n(CC)c(=O)c3ccccc32)s1.
What is the InChIKey of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is VNMNJMINKGKGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S2/c1-3-20-13(23)10-7-5-6-8-11(10)21(16(20)24)9-12(22)17-14-18-19-15(26-14)25-4-2/h5-8H,3-4,9H2,1-2H3,(H,17,18,22).
What are the key properties of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 391.48 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 17432004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).