N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide

C10H14N2OS — CID 6088045

IUPACN-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide
SMILESCCC/C(C)=N\NC(=O)c1cccs1
InChIInChI=1S/C10H14N2OS/c1-3-5-8(2)11-12-10(13)9-6-4-7-14-9/h4,6-7H,3,5H2,1-2H3,(H,12,13)/b11-8-
InChIKeyFHAJUQPJXSPCQN-FLIBITNWSA-N
MW210.30 g/mol
LogP2.65
Rot. Bonds4

About N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide

N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide (PubChem CID 6088045) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide
PubChem CID6088045
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC NameN-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide
SMILESCCC/C(C)=N\NC(=O)c1cccs1
InChIInChI=1S/C10H14N2OS/c1-3-5-8(2)11-12-10(13)9-6-4-7-14-9/h4,6-7H,3,5H2,1-2H3,(H,12,13)/b11-8-
InChIKeyFHAJUQPJXSPCQN-FLIBITNWSA-N
XLogP2.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]thiophene-2-carboxamide
CID 3108534
N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]thiophene-2-carboxamide
CID 6517677
ethyl 2-methyl-3-(thiophene-2-carbonylhydrazinylidene)butanoate
CID 3467381
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide
CID 5391936
N-[(E)-butylideneamino]thiophene-2-carboxamide
CID 6114128
N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide
CID 951050
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
CID 6114549
N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 761702
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6299285
5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid
CID 6309805
4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6026016
2-methyl-N-[(Z)-1-thiophen-2-ylbutylideneamino]furan-3-carboxamide
CID 6517419

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide (CID 6088045) is N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide is CCC/C(C)=N\NC(=O)c1cccs1.
What is the InChIKey of N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide?
The InChIKey is FHAJUQPJXSPCQN-FLIBITNWSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-3-5-8(2)11-12-10(13)9-6-4-7-14-9/h4,6-7H,3,5H2,1-2H3,(H,12,13)/b11-8-.
What are the key properties of N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide?
N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide has a molecular weight of 210.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 6088045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).