oxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine

C11H11N3O4S2 — CID 24846810

IUPACoxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N/Nc1nccs1)c1cccs1.O=C(O)C(=O)O
InChIInChI=1S/C9H9N3S2.C2H2O4/c1-7(8-3-2-5-13-8)11-12-9-10-4-6-14-9;3-1(4)2(5)6/h2-6H,1H3,(H,10,12);(H,3,4)(H,5,6)/b11-7-;
InChIKeyGRTUYDDFDUFEKA-AJULUCINSA-N
MW313.36 g/mol
LogP2.20
Rot. Bonds3

About oxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine

oxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine (PubChem CID 24846810) has the molecular formula C11H11N3O4S2 and a molecular weight of 313.36 g/mol. Its IUPAC name is oxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Nameoxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
PubChem CID24846810
Molecular FormulaC11H11N3O4S2
Molecular Weight313.36 g/mol
Exact Mass313.02
IUPAC Nameoxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N/Nc1nccs1)c1cccs1.O=C(O)C(=O)O
InChIInChI=1S/C9H9N3S2.C2H2O4/c1-7(8-3-2-5-13-8)11-12-9-10-4-6-14-9;3-1(4)2(5)6/h2-6H,1H3,(H,10,12);(H,3,4)(H,5,6)/b11-7-;
InChIKeyGRTUYDDFDUFEKA-AJULUCINSA-N
XLogP2.20
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[4-methyl-2-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone
CID 73347942
N-(1,3-thiazol-2-yl)-4-(1-thiophen-2-ylethylideneamino)benzenesulfonamide
CID 10919389
2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
2-ethyl-N-[(E)-1-thiophen-2-ylethylideneamino]aniline
CID 7340543
2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline
CID 3463162
N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]thiophene-2-carboxamide
CID 35966044
2,2-diphenyl-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 969030
N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine
CID 134814002
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885
N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropanecarboxamide
CID 6340204
ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate
CID 58003647
4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine
CID 31522342

Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of oxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine (CID 24846810) is oxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for oxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for oxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine is C/C(=N/Nc1nccs1)c1cccs1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is GRTUYDDFDUFEKA-AJULUCINSA-N. The full InChI is InChI=1S/C9H9N3S2.C2H2O4/c1-7(8-3-2-5-13-8)11-12-9-10-4-6-14-9;3-1(4)2(5)6/h2-6H,1H3,(H,10,12);(H,3,4)(H,5,6)/b11-7-;.
What are the key properties of oxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
oxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 313.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 24846810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).