N-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide

C14H13N3OS — CID 22149279

IUPACN-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide
SMILESN/C(=N\C(=O)c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C14H13N3OS/c15-14(16-13(18)12-6-3-9-19-12)17-8-7-10-4-1-2-5-11(10)17/h1-6,9H,7-8H2,(H2,15,16,18)
InChIKeyRTNRATJQAOSXGO-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.27
Rot. Bonds1

About N-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide

N-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide (PubChem CID 22149279) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide
PubChem CID22149279
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide
SMILESN/C(=N\C(=O)c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C14H13N3OS/c15-14(16-13(18)12-6-3-9-19-12)17-8-7-10-4-1-2-5-11(10)17/h1-6,9H,7-8H2,(H2,15,16,18)
InChIKeyRTNRATJQAOSXGO-UHFFFAOYSA-N
XLogP2.27
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide
CID 11780892
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 76944392
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 126972145
(2-aminothiophen-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 117213470
N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 5051757
N-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide
CID 42139496
N'-ethyl-2,3-dihydroindole-1-carboximidamide
CID 62360655
N-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide
CID 22149343
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697303
(3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone
CID 61090033
N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503782
N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548533

Frequently Asked Questions

What is the IUPAC name of N-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide?
The IUPAC name of N-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide (CID 22149279) is N-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide.
What is the SMILES notation for N-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide?
The canonical SMILES for N-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide is N/C(=N\C(=O)c1cccs1)N1CCc2ccccc21.
What is the InChIKey of N-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide?
The InChIKey is RTNRATJQAOSXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c15-14(16-13(18)12-6-3-9-19-12)17-8-7-10-4-1-2-5-11(10)17/h1-6,9H,7-8H2,(H2,15,16,18).
What are the key properties of N-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide?
N-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide is sourced from PubChem (CID 22149279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).