formic acid;thiophene-2-carboxamide

C6H7NO3S — CID 118356394

IUPACformic acid;thiophene-2-carboxamide
SMILESNC(=O)c1cccs1.O=CO
InChIInChI=1S/C5H5NOS.CH2O2/c6-5(7)4-2-1-3-8-4;2-1-3/h1-3H,(H2,6,7);1H,(H,2,3)
InChIKeyVGTQGJQOZKMKHQ-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.55
Rot. Bonds1

About formic acid;thiophene-2-carboxamide

formic acid;thiophene-2-carboxamide (PubChem CID 118356394) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is formic acid;thiophene-2-carboxamide.

Molecular Properties

Compound Nameformic acid;thiophene-2-carboxamide
PubChem CID118356394
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Nameformic acid;thiophene-2-carboxamide
SMILESNC(=O)c1cccs1.O=CO
InChIInChI=1S/C5H5NOS.CH2O2/c6-5(7)4-2-1-3-8-4;2-1-3/h1-3H,(H2,6,7);1H,(H,2,3)
InChIKeyVGTQGJQOZKMKHQ-UHFFFAOYSA-N
XLogP0.55
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzamide;thiophene-2-carboxamide
CID 174752818
2-oxo-2-thiophen-2-ylacetaldehyde
CID 5272214
formyl thiophene-2-carboxylate
CID 22645353
azane;formyl thiophene-2-carboxylate
CID 174676100
(Z)-3-hydroxy-2-thiophen-2-ylprop-2-enal
CID 119093865
N-formylthiophene-2-carboxamide
CID 2771336
(Z)-3-amino-1-thiophen-2-ylbut-2-en-1-one
CID 59145780
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
N-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide
CID 2746671
sodium thiophene-2-carboxylate
CID 23672340
formaldehyde;thiophene-2-carboxylic acid
CID 158716916

Frequently Asked Questions

What is the IUPAC name of formic acid;thiophene-2-carboxamide?
The IUPAC name of formic acid;thiophene-2-carboxamide (CID 118356394) is formic acid;thiophene-2-carboxamide.
What is the SMILES notation for formic acid;thiophene-2-carboxamide?
The canonical SMILES for formic acid;thiophene-2-carboxamide is NC(=O)c1cccs1.O=CO.
What is the InChIKey of formic acid;thiophene-2-carboxamide?
The InChIKey is VGTQGJQOZKMKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NOS.CH2O2/c6-5(7)4-2-1-3-8-4;2-1-3/h1-3H,(H2,6,7);1H,(H,2,3).
What are the key properties of formic acid;thiophene-2-carboxamide?
formic acid;thiophene-2-carboxamide has a molecular weight of 173.19 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;thiophene-2-carboxamide is sourced from PubChem (CID 118356394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).