N-thiophen-3-ylformamide

C5H5NOS — CID 12571917

IUPACN-thiophen-3-ylformamide
SMILESO=CNc1ccsc1
InChIInChI=1S/C5H5NOS/c7-4-6-5-1-2-8-3-5/h1-4H,(H,6,7)
InChIKeyVFVKYXLBGMFNMB-UHFFFAOYSA-N
MW127.17 g/mol
LogP1.32
Rot. Bonds2

About N-thiophen-3-ylformamide

N-thiophen-3-ylformamide (PubChem CID 12571917) has the molecular formula C5H5NOS and a molecular weight of 127.17 g/mol. Its IUPAC name is N-thiophen-3-ylformamide.

Molecular Properties

Compound NameN-thiophen-3-ylformamide
PubChem CID12571917
Molecular FormulaC5H5NOS
Molecular Weight127.17 g/mol
Exact Mass127.01
IUPAC NameN-thiophen-3-ylformamide
SMILESO=CNc1ccsc1
InChIInChI=1S/C5H5NOS/c7-4-6-5-1-2-8-3-5/h1-4H,(H,6,7)
InChIKeyVFVKYXLBGMFNMB-UHFFFAOYSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-thiophen-3-ylformamide?
The IUPAC name of N-thiophen-3-ylformamide (CID 12571917) is N-thiophen-3-ylformamide.
What is the SMILES notation for N-thiophen-3-ylformamide?
The canonical SMILES for N-thiophen-3-ylformamide is O=CNc1ccsc1.
What is the InChIKey of N-thiophen-3-ylformamide?
The InChIKey is VFVKYXLBGMFNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NOS/c7-4-6-5-1-2-8-3-5/h1-4H,(H,6,7).
What are the key properties of N-thiophen-3-ylformamide?
N-thiophen-3-ylformamide has a molecular weight of 127.17 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-thiophen-3-ylformamide is sourced from PubChem (CID 12571917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).