N-[6-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]acetamide

C9H11N5OS — CID 10399269

IUPACN-[6-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(/C=N/NC(N)=S)nc1
InChIInChI=1S/C9H11N5OS/c1-6(15)13-8-3-2-7(11-4-8)5-12-14-9(10)16/h2-5H,1H3,(H,13,15)(H3,10,14,16)/b12-5+
InChIKeyQFQVLUBPFBWFOF-LFYBBSHMSA-N
MW237.29 g/mol
LogP0.21
Rot. Bonds3

About N-[6-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]acetamide

N-[6-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]acetamide (PubChem CID 10399269) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is N-[6-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]acetamide
PubChem CID10399269
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC NameN-[6-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(/C=N/NC(N)=S)nc1
InChIInChI=1S/C9H11N5OS/c1-6(15)13-8-3-2-7(11-4-8)5-12-14-9(10)16/h2-5H,1H3,(H,13,15)(H3,10,14,16)/b12-5+
InChIKeyQFQVLUBPFBWFOF-LFYBBSHMSA-N
XLogP0.21
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[(E)-[5-(methylamino)-2-pyridinyl]methylideneamino]thiourea
CID 10219945
[6-[(carbamothioylhydrazinylidene)methyl]-3-pyridinyl] 2-ethoxyacetate
CID 4551327
[[5-(trifluoromethoxy)-2-pyridinyl]methylideneamino]thiourea
CID 4002121
[(Z)-pyridin-2-ylmethylideneamino]thiourea
CID 5354113
N-[4-[(carbamothioylhydrazinylidene)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide
CID 135458554
CID 50936105
CID 50936105
hydrogen sulfate;iron;(pyridin-2-ylmethylideneamino)thiourea
CID 50909656
N-[4-[(carbamothioylhydrazinylidene)methyl]-2-fluorophenyl]acetamide
CID 3001792
[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 5042042
(1,8-naphthyridin-2-ylmethylideneamino)thiourea
CID 75146831
5-acetamidopyridine-2-carboxylic acid
CID 5278292
N-[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]-2,2,2-trichloroacetamide
CID 134117561

Frequently Asked Questions

What is the IUPAC name of N-[6-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]acetamide?
The IUPAC name of N-[6-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]acetamide (CID 10399269) is N-[6-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]acetamide is CC(=O)Nc1ccc(/C=N/NC(N)=S)nc1.
What is the InChIKey of N-[6-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]acetamide?
The InChIKey is QFQVLUBPFBWFOF-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-6(15)13-8-3-2-7(11-4-8)5-12-14-9(10)16/h2-5H,1H3,(H,13,15)(H3,10,14,16)/b12-5+.
What are the key properties of N-[6-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]acetamide?
N-[6-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]acetamide has a molecular weight of 237.29 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(E)-(carbamothioylhydrazinylidene)methyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 10399269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).