N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide

C14H10BrN3OS — CID 6873014

IUPACN-[(E)-(5-bromothiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C/c1ccc(Br)s1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H10BrN3OS/c15-13-6-5-9(20-13)7-17-18-14(19)11-8-16-12-4-2-1-3-10(11)12/h1-8,16H,(H,18,19)/b17-7+
InChIKeyQGCPKCLPPNWTLV-REZTVBANSA-N
MW348.23 g/mol
LogP3.76
Rot. Bonds3

About N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide

N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 6873014) has the molecular formula C14H10BrN3OS and a molecular weight of 348.23 g/mol. Its IUPAC name is N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromothiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID6873014
Molecular FormulaC14H10BrN3OS
Molecular Weight348.23 g/mol
Exact Mass346.97
IUPAC NameN-[(E)-(5-bromothiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C/c1ccc(Br)s1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H10BrN3OS/c15-13-6-5-9(20-13)7-17-18-14(19)11-8-16-12-4-2-1-3-10(11)12/h1-8,16H,(H,18,19)/b17-7+
InChIKeyQGCPKCLPPNWTLV-REZTVBANSA-N
XLogP3.76
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.76
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)-(5-bromothiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide (CID 6873014) is N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide is O=C(N/N=C/c1ccc(Br)s1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is QGCPKCLPPNWTLV-REZTVBANSA-N. The full InChI is InChI=1S/C14H10BrN3OS/c15-13-6-5-9(20-13)7-17-18-14(19)11-8-16-12-4-2-1-3-10(11)12/h1-8,16H,(H,18,19)/b17-7+.
What are the key properties of N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 348.23 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 6873014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).