N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide

C17H14N6O3S2 — CID 28527465

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide
SMILESCOCc1nnc(NC(=O)Cn2nnc3sc(-c4ccccc4)cc3c2=O)s1
InChIInChI=1S/C17H14N6O3S2/c1-26-9-14-19-21-17(28-14)18-13(24)8-23-16(25)11-7-12(27-15(11)20-22-23)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,18,21,24)
InChIKeyDYZQLOPZFQGGMI-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.16
Rot. Bonds6

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide (PubChem CID 28527465) has the molecular formula C17H14N6O3S2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide
PubChem CID28527465
Molecular FormulaC17H14N6O3S2
Molecular Weight414.47 g/mol
Exact Mass414.06
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide
SMILESCOCc1nnc(NC(=O)Cn2nnc3sc(-c4ccccc4)cc3c2=O)s1
InChIInChI=1S/C17H14N6O3S2/c1-26-9-14-19-21-17(28-14)18-13(24)8-23-16(25)11-7-12(27-15(11)20-22-23)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,18,21,24)
InChIKeyDYZQLOPZFQGGMI-UHFFFAOYSA-N
XLogP2.16
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide
CID 1426270
2-methylpropyl 2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetate
CID 1426420
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetamide
CID 28527423
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 28527645
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 108806526
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24647730
methyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate
CID 1426424
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39069615
N-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 46980724
2-[4-(hydroxymethyl)triazol-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 82210972
ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate
CID 1426430
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methyl-3-oxo-4-phenylpiperazin-1-yl)acetamide
CID 91832530

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide (CID 28527465) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide is COCc1nnc(NC(=O)Cn2nnc3sc(-c4ccccc4)cc3c2=O)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide?
The InChIKey is DYZQLOPZFQGGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3S2/c1-26-9-14-19-21-17(28-14)18-13(24)8-23-16(25)11-7-12(27-15(11)20-22-23)10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,18,21,24).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide has a molecular weight of 414.47 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide is sourced from PubChem (CID 28527465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).