5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide

C13H17N5O2S2 — CID 47093609

IUPAC5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)CSc2nncn2C)cc1C
InChIInChI=1S/C13H17N5O2S2/c1-4-9-8(2)5-10(22-9)12(20)16-15-11(19)6-21-13-17-14-7-18(13)3/h5,7H,4,6H2,1-3H3,(H,15,19)(H,16,20)
InChIKeyMWOKKJXDEHPJBS-UHFFFAOYSA-N
MW339.45 g/mol
LogP1.30
Rot. Bonds5

About 5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide

5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide (PubChem CID 47093609) has the molecular formula C13H17N5O2S2 and a molecular weight of 339.45 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
PubChem CID47093609
Molecular FormulaC13H17N5O2S2
Molecular Weight339.45 g/mol
Exact Mass339.08
IUPAC Name5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)CSc2nncn2C)cc1C
InChIInChI=1S/C13H17N5O2S2/c1-4-9-8(2)5-10(22-9)12(20)16-15-11(19)6-21-13-17-14-7-18(13)3/h5,7H,4,6H2,1-3H3,(H,15,19)(H,16,20)
InChIKeyMWOKKJXDEHPJBS-UHFFFAOYSA-N
XLogP1.30
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418338
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1250957
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418304
4-(diethylamino)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 7434268
5-ethyl-4-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]thiophene-2-carbohydrazide
CID 9418328
N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-4-carbohydrazide
CID 18163616
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418418
5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 18093759
methyl 4-methyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 3161322
5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide
CID 35410513
5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
CID 9418358
methyl 5-methyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 17307824

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide (CID 47093609) is 5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)CSc2nncn2C)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide?
The InChIKey is MWOKKJXDEHPJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S2/c1-4-9-8(2)5-10(22-9)12(20)16-15-11(19)6-21-13-17-14-7-18(13)3/h5,7H,4,6H2,1-3H3,(H,15,19)(H,16,20).
What are the key properties of 5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide?
5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide has a molecular weight of 339.45 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 47093609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).