2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide

C16H13N5O2S — CID 16675463

IUPAC2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1nc2c3ccccc3ncn2c1=O)NCc1cccs1
InChIInChI=1S/C16H13N5O2S/c22-14(17-8-11-4-3-7-24-11)9-21-16(23)20-10-18-13-6-2-1-5-12(13)15(20)19-21/h1-7,10H,8-9H2,(H,17,22)
InChIKeyKTRMHYMLSHWAJI-UHFFFAOYSA-N
MW339.38 g/mol
LogP1.42
Rot. Bonds4

About 2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 16675463) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID16675463
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Name2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1nc2c3ccccc3ncn2c1=O)NCc1cccs1
InChIInChI=1S/C16H13N5O2S/c22-14(17-8-11-4-3-7-24-11)9-21-16(23)20-10-18-13-6-2-1-5-12(13)15(20)19-21/h1-7,10H,8-9H2,(H,17,22)
InChIKeyKTRMHYMLSHWAJI-UHFFFAOYSA-N
XLogP1.42
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-quinolin-5-ylacetamide
CID 16675465
N-(3-fluorophenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53020040
2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 17432997
N-(3,4-dimethoxyphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53020053
N-ethyl-2-(4-oxoquinazolin-3-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 9287080
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 7886622
2-(benzimidazol-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 122159016
2-(8-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-propylacetamide
CID 16669390
N-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53073711
2-(11,12-dimethyl-5-oxo-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 53074185
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 121090531

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 16675463) is 2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1nc2c3ccccc3ncn2c1=O)NCc1cccs1.
What is the InChIKey of 2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KTRMHYMLSHWAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c22-14(17-8-11-4-3-7-24-11)9-21-16(23)20-10-18-13-6-2-1-5-12(13)15(20)19-21/h1-7,10H,8-9H2,(H,17,22).
What are the key properties of 2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 339.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 16675463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).