N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide

C18H18N4O2S — CID 2354777

IUPACN-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(NN=Cc1ccc(N2CCOCC2)s1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H18N4O2S/c23-18(15-12-19-16-4-2-1-3-14(15)16)21-20-11-13-5-6-17(25-13)22-7-9-24-10-8-22/h1-6,11-12,19H,7-10H2,(H,21,23)
InChIKeyKHHAKZSPJZTKCZ-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.83
Rot. Bonds4

About N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide

N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 2354777) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID2354777
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(NN=Cc1ccc(N2CCOCC2)s1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H18N4O2S/c23-18(15-12-19-16-4-2-1-3-14(15)16)21-20-11-13-5-6-17(25-13)22-7-9-24-10-8-22/h1-6,11-12,19H,7-10H2,(H,21,23)
InChIKeyKHHAKZSPJZTKCZ-UHFFFAOYSA-N
XLogP2.83
TPSA69.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide (CID 2354777) is N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide is O=C(NN=Cc1ccc(N2CCOCC2)s1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is KHHAKZSPJZTKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-18(15-12-19-16-4-2-1-3-14(15)16)21-20-11-13-5-6-17(25-13)22-7-9-24-10-8-22/h1-6,11-12,19H,7-10H2,(H,21,23).
What are the key properties of N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 2354777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).