N-(1,3-dihydroinden-2-ylideneamino)thiophene-2-carboxamide

C14H12N2OS — CID 4923007

IUPACN-(1,3-dihydroinden-2-ylideneamino)thiophene-2-carboxamide
SMILESO=C(NN=C1Cc2ccccc2C1)c1cccs1
InChIInChI=1S/C14H12N2OS/c17-14(13-6-3-7-18-13)16-15-12-8-10-4-1-2-5-11(10)9-12/h1-7H,8-9H2,(H,16,17)
InChIKeyDPVWBTNJTDHRQO-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.63
Rot. Bonds2

About N-(1,3-dihydroinden-2-ylideneamino)thiophene-2-carboxamide

N-(1,3-dihydroinden-2-ylideneamino)thiophene-2-carboxamide (PubChem CID 4923007) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(1,3-dihydroinden-2-ylideneamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroinden-2-ylideneamino)thiophene-2-carboxamide
PubChem CID4923007
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC NameN-(1,3-dihydroinden-2-ylideneamino)thiophene-2-carboxamide
SMILESO=C(NN=C1Cc2ccccc2C1)c1cccs1
InChIInChI=1S/C14H12N2OS/c17-14(13-6-3-7-18-13)16-15-12-8-10-4-1-2-5-11(10)9-12/h1-7H,8-9H2,(H,16,17)
InChIKeyDPVWBTNJTDHRQO-UHFFFAOYSA-N
XLogP2.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.63
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-(cyclohexylideneamino)thiophene-2-carboxamide
CID 969438
N-[(1-benzylpiperidin-4-ylidene)amino]thiophene-2-carboxamide
CID 3516684
N-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide
CID 6377558
1,3-bis[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]urea
CID 5467984
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-thiophen-2-ylacetamide
CID 9410892
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]benzamide
CID 9410916
N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]thiophene-2-carboxamide
CID 144716050
N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide
CID 6088045
N-sulfanylthiophene-2-carboxamide
CID 87476143
N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 761702
N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide
CID 6910346
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide
CID 5391936

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroinden-2-ylideneamino)thiophene-2-carboxamide?
The IUPAC name of N-(1,3-dihydroinden-2-ylideneamino)thiophene-2-carboxamide (CID 4923007) is N-(1,3-dihydroinden-2-ylideneamino)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-dihydroinden-2-ylideneamino)thiophene-2-carboxamide?
The canonical SMILES for N-(1,3-dihydroinden-2-ylideneamino)thiophene-2-carboxamide is O=C(NN=C1Cc2ccccc2C1)c1cccs1.
What is the InChIKey of N-(1,3-dihydroinden-2-ylideneamino)thiophene-2-carboxamide?
The InChIKey is DPVWBTNJTDHRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-14(13-6-3-7-18-13)16-15-12-8-10-4-1-2-5-11(10)9-12/h1-7H,8-9H2,(H,16,17).
What are the key properties of N-(1,3-dihydroinden-2-ylideneamino)thiophene-2-carboxamide?
N-(1,3-dihydroinden-2-ylideneamino)thiophene-2-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroinden-2-ylideneamino)thiophene-2-carboxamide is sourced from PubChem (CID 4923007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).