1-amino-N-thiophen-3-ylisoquinoline-3-carboxamide

C14H11N3OS — CID 66354413

IUPAC1-amino-N-thiophen-3-ylisoquinoline-3-carboxamide
SMILESNc1nc(C(=O)Nc2ccsc2)cc2ccccc12
InChIInChI=1S/C14H11N3OS/c15-13-11-4-2-1-3-9(11)7-12(17-13)14(18)16-10-5-6-19-8-10/h1-8H,(H2,15,17)(H,16,18)
InChIKeyNRTISDAIMKEEPJ-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.13
Rot. Bonds2

About 1-amino-N-thiophen-3-ylisoquinoline-3-carboxamide

1-amino-N-thiophen-3-ylisoquinoline-3-carboxamide (PubChem CID 66354413) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-amino-N-thiophen-3-ylisoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-thiophen-3-ylisoquinoline-3-carboxamide
PubChem CID66354413
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name1-amino-N-thiophen-3-ylisoquinoline-3-carboxamide
SMILESNc1nc(C(=O)Nc2ccsc2)cc2ccccc12
InChIInChI=1S/C14H11N3OS/c15-13-11-4-2-1-3-9(11)7-12(17-13)14(18)16-10-5-6-19-8-10/h1-8H,(H2,15,17)(H,16,18)
InChIKeyNRTISDAIMKEEPJ-UHFFFAOYSA-N
XLogP3.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-thiophen-3-ylisoquinoline-3-carboxamide?
The IUPAC name of 1-amino-N-thiophen-3-ylisoquinoline-3-carboxamide (CID 66354413) is 1-amino-N-thiophen-3-ylisoquinoline-3-carboxamide.
What is the SMILES notation for 1-amino-N-thiophen-3-ylisoquinoline-3-carboxamide?
The canonical SMILES for 1-amino-N-thiophen-3-ylisoquinoline-3-carboxamide is Nc1nc(C(=O)Nc2ccsc2)cc2ccccc12.
What is the InChIKey of 1-amino-N-thiophen-3-ylisoquinoline-3-carboxamide?
The InChIKey is NRTISDAIMKEEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-13-11-4-2-1-3-9(11)7-12(17-13)14(18)16-10-5-6-19-8-10/h1-8H,(H2,15,17)(H,16,18).
What are the key properties of 1-amino-N-thiophen-3-ylisoquinoline-3-carboxamide?
1-amino-N-thiophen-3-ylisoquinoline-3-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-thiophen-3-ylisoquinoline-3-carboxamide is sourced from PubChem (CID 66354413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).