N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide

C15H13N3OS — CID 6894174

IUPACN-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESCc1ccsc1/C=N/NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H13N3OS/c1-10-6-7-20-14(10)9-17-18-15(19)12-8-16-13-5-3-2-4-11(12)13/h2-9,16H,1H3,(H,18,19)/b17-9+
InChIKeyXLISJYYBOYOKPD-RQZCQDPDSA-N
MW283.36 g/mol
LogP3.30
Rot. Bonds3

About N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide

N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 6894174) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID6894174
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESCc1ccsc1/C=N/NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C15H13N3OS/c1-10-6-7-20-14(10)9-17-18-15(19)12-8-16-13-5-3-2-4-11(12)13/h2-9,16H,1H3,(H,18,19)/b17-9+
InChIKeyXLISJYYBOYOKPD-RQZCQDPDSA-N
XLogP3.30
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide (CID 6894174) is N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide is Cc1ccsc1/C=N/NC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is XLISJYYBOYOKPD-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-10-6-7-20-14(10)9-17-18-15(19)12-8-16-13-5-3-2-4-11(12)13/h2-9,16H,1H3,(H,18,19)/b17-9+.
What are the key properties of N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 6894174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).