2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide

C20H17N5S — CID 162368339

IUPAC2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cc4ccc(/C(N)=N/[H])cc4[nH]3)s2)cc1
InChIInChI=1S/C20H17N5S/c21-19(22)12-3-1-11(2-4-12)17-7-8-18(26-17)16-9-13-5-6-14(20(23)24)10-15(13)25-16/h1-10,25H,(H3,21,22)(H3,23,24)
InChIKeySLHMDSOFLPLMCD-UHFFFAOYSA-N
MW359.46 g/mol
LogP4.13
Rot. Bonds4

About 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide

2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide (PubChem CID 162368339) has the molecular formula C20H17N5S and a molecular weight of 359.46 g/mol. Its IUPAC name is 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide.

Molecular Properties

Compound Name2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide
PubChem CID162368339
Molecular FormulaC20H17N5S
Molecular Weight359.46 g/mol
Exact Mass359.12
IUPAC Name2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cc4ccc(/C(N)=N/[H])cc4[nH]3)s2)cc1
InChIInChI=1S/C20H17N5S/c21-19(22)12-3-1-11(2-4-12)17-7-8-18(26-17)16-9-13-5-6-14(20(23)24)10-15(13)25-16/h1-10,25H,(H3,21,22)(H3,23,24)
InChIKeySLHMDSOFLPLMCD-UHFFFAOYSA-N
XLogP4.13
TPSA115.53 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 54.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide?
The IUPAC name of 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide (CID 162368339) is 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide.
What is the SMILES notation for 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide?
The canonical SMILES for 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3cc4ccc(/C(N)=N/[H])cc4[nH]3)s2)cc1.
What is the InChIKey of 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide?
The InChIKey is SLHMDSOFLPLMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5S/c21-19(22)12-3-1-11(2-4-12)17-7-8-18(26-17)16-9-13-5-6-14(20(23)24)10-15(13)25-16/h1-10,25H,(H3,21,22)(H3,23,24).
What are the key properties of 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide?
2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide has a molecular weight of 359.46 g/mol, XLogP of 4.13, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide is sourced from PubChem (CID 162368339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).