5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide

C9H11N5OS2 — CID 55214078

IUPAC5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide
SMILESCn1cnnc1SCc1ccc(C(=O)NN)s1
InChIInChI=1S/C9H11N5OS2/c1-14-5-11-13-9(14)16-4-6-2-3-7(17-6)8(15)12-10/h2-3,5H,4,10H2,1H3,(H,12,15)
InChIKeyKHBLRRBFYSQZIU-UHFFFAOYSA-N
MW269.36 g/mol
LogP0.77
Rot. Bonds4

About 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide

5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide (PubChem CID 55214078) has the molecular formula C9H11N5OS2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide
PubChem CID55214078
Molecular FormulaC9H11N5OS2
Molecular Weight269.36 g/mol
Exact Mass269.04
IUPAC Name5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide
SMILESCn1cnnc1SCc1ccc(C(=O)NN)s1
InChIInChI=1S/C9H11N5OS2/c1-14-5-11-13-9(14)16-4-6-2-3-7(17-6)8(15)12-10/h2-3,5H,4,10H2,1H3,(H,12,15)
InChIKeyKHBLRRBFYSQZIU-UHFFFAOYSA-N
XLogP0.77
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide (CID 55214078) is 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide is Cn1cnnc1SCc1ccc(C(=O)NN)s1.
What is the InChIKey of 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
The InChIKey is KHBLRRBFYSQZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS2/c1-14-5-11-13-9(14)16-4-6-2-3-7(17-6)8(15)12-10/h2-3,5H,4,10H2,1H3,(H,12,15).
What are the key properties of 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide has a molecular weight of 269.36 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 55214078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).