2-(3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetohydrazide

C10H10N6OS2 — CID 2727843

IUPAC2-(3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetohydrazide
SMILESNNC(=O)CC1=Nn2c(nnc2-c2cccs2)SC1
InChIInChI=1S/C10H10N6OS2/c11-12-8(17)4-6-5-19-10-14-13-9(16(10)15-6)7-2-1-3-18-7/h1-3H,4-5,11H2,(H,12,17)
InChIKeyPPNPAQHIOKICCQ-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.70
Rot. Bonds3

About 2-(3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetohydrazide

2-(3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetohydrazide (PubChem CID 2727843) has the molecular formula C10H10N6OS2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetohydrazide
PubChem CID2727843
Molecular FormulaC10H10N6OS2
Molecular Weight294.36 g/mol
Exact Mass294.04
IUPAC Name2-(3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetohydrazide
SMILESNNC(=O)CC1=Nn2c(nnc2-c2cccs2)SC1
InChIInChI=1S/C10H10N6OS2/c11-12-8(17)4-6-5-19-10-14-13-9(16(10)15-6)7-2-1-3-18-7/h1-3H,4-5,11H2,(H,12,17)
InChIKeyPPNPAQHIOKICCQ-UHFFFAOYSA-N
XLogP0.70
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-(thiophen-2-yl)-7H-(1,2,4)triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)acetate
CID 700965
1-piperidin-1-yl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 4266104
1-pyrrolidin-1-yl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2113120
3-(prop-2-enylthio)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 339578
{[5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
CID 2816985
6-methyl-3-(2-thienyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 848918
N,N-di(propan-2-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2117768
2-[(4-Amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 2408778
2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 936312
2-[(4-Ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 4815256
2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16607216
N-carbamoyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2099545

Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetohydrazide?
The IUPAC name of 2-(3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetohydrazide (CID 2727843) is 2-(3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetohydrazide.
What is the SMILES notation for 2-(3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetohydrazide?
The canonical SMILES for 2-(3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetohydrazide is NNC(=O)CC1=Nn2c(nnc2-c2cccs2)SC1.
What is the InChIKey of 2-(3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetohydrazide?
The InChIKey is PPNPAQHIOKICCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6OS2/c11-12-8(17)4-6-5-19-10-14-13-9(16(10)15-6)7-2-1-3-18-7/h1-3H,4-5,11H2,(H,12,17).
What are the key properties of 2-(3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetohydrazide?
2-(3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetohydrazide has a molecular weight of 294.36 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetohydrazide is sourced from PubChem (CID 2727843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).