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

C16H16N6O2S2 — CID 18162266

IUPACN'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyridine-3-carbohydrazide
SMILESCCn1c(SCC(=O)NNC(=O)c2cccnc2)nnc1-c1cccs1
InChIInChI=1S/C16H16N6O2S2/c1-2-22-14(12-6-4-8-25-12)19-21-16(22)26-10-13(23)18-20-15(24)11-5-3-7-17-9-11/h3-9H,2,10H2,1H3,(H,18,23)(H,20,24)
InChIKeyWFSPTWCUFYHDLO-UHFFFAOYSA-N
MW388.48 g/mol
LogP1.97
Rot. Bonds6

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

N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyridine-3-carbohydrazide (PubChem CID 18162266) has the molecular formula C16H16N6O2S2 and a molecular weight of 388.48 g/mol. Its IUPAC name is N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyridine-3-carbohydrazide
PubChem CID18162266
Molecular FormulaC16H16N6O2S2
Molecular Weight388.48 g/mol
Exact Mass388.08
IUPAC NameN'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyridine-3-carbohydrazide
SMILESCCn1c(SCC(=O)NNC(=O)c2cccnc2)nnc1-c1cccs1
InChIInChI=1S/C16H16N6O2S2/c1-2-22-14(12-6-4-8-25-12)19-21-16(22)26-10-13(23)18-20-15(24)11-5-3-7-17-9-11/h3-9H,2,10H2,1H3,(H,18,23)(H,20,24)
InChIKeyWFSPTWCUFYHDLO-UHFFFAOYSA-N
XLogP1.97
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyridine-3-carbohydrazide with MolForge

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Related Compounds

2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 3369409
N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 4850300
N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 35954140
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2448165
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-pentan-2-yl]acetamide
CID 2704496
N'-[2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophene-2-carbohydrazide
CID 3498590
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 1125378
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 997661
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]acetamide
CID 7181840
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7181909
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methoxyphenyl)ethanone
CID 18085579
N'-[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-nitrobenzohydrazide
CID 46661601

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyridine-3-carbohydrazide (CID 18162266) is N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyridine-3-carbohydrazide is CCn1c(SCC(=O)NNC(=O)c2cccnc2)nnc1-c1cccs1.
What is the InChIKey of N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyridine-3-carbohydrazide?
The InChIKey is WFSPTWCUFYHDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S2/c1-2-22-14(12-6-4-8-25-12)19-21-16(22)26-10-13(23)18-20-15(24)11-5-3-7-17-9-11/h3-9H,2,10H2,1H3,(H,18,23)(H,20,24).
What are the key properties of N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyridine-3-carbohydrazide?
N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyridine-3-carbohydrazide has a molecular weight of 388.48 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 18162266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).