5-chlorothiophene-2-carboximidamide

C5H5ClN2S — CID 11206390

IUPAC5-chlorothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)s1
InChIInChI=1S/C5H5ClN2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H3,7,8)
InChIKeyPRXKSKFBKYEQDV-UHFFFAOYSA-N
MW160.63 g/mol
LogP1.69
Rot. Bonds1

About 5-chlorothiophene-2-carboximidamide

5-chlorothiophene-2-carboximidamide (PubChem CID 11206390) has the molecular formula C5H5ClN2S and a molecular weight of 160.63 g/mol. Its IUPAC name is 5-chlorothiophene-2-carboximidamide.

Molecular Properties

Compound Name5-chlorothiophene-2-carboximidamide
PubChem CID11206390
Molecular FormulaC5H5ClN2S
Molecular Weight160.63 g/mol
Exact Mass159.99
IUPAC Name5-chlorothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)s1
InChIInChI=1S/C5H5ClN2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H3,7,8)
InChIKeyPRXKSKFBKYEQDV-UHFFFAOYSA-N
XLogP1.69
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.63
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-chlorothiophene-2-carboximidamide?
The IUPAC name of 5-chlorothiophene-2-carboximidamide (CID 11206390) is 5-chlorothiophene-2-carboximidamide.
What is the SMILES notation for 5-chlorothiophene-2-carboximidamide?
The canonical SMILES for 5-chlorothiophene-2-carboximidamide is [H]/N=C(\N)c1ccc(Cl)s1.
What is the InChIKey of 5-chlorothiophene-2-carboximidamide?
The InChIKey is PRXKSKFBKYEQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H3,7,8).
What are the key properties of 5-chlorothiophene-2-carboximidamide?
5-chlorothiophene-2-carboximidamide has a molecular weight of 160.63 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorothiophene-2-carboximidamide is sourced from PubChem (CID 11206390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).