1,3-thiazolidine-3-carboximidamide

C4H9N3S — CID 45087475

IUPAC1,3-thiazolidine-3-carboximidamide
SMILES[H]/N=C(\N)N1CCSC1
InChIInChI=1S/C4H9N3S/c5-4(6)7-1-2-8-3-7/h1-3H2,(H3,5,6)
InChIKeyXGHWQRUSVQRGHM-UHFFFAOYSA-N
MW131.20 g/mol
LogP-0.11
Rot. Bonds

About 1,3-thiazolidine-3-carboximidamide

1,3-thiazolidine-3-carboximidamide (PubChem CID 45087475) has the molecular formula C4H9N3S and a molecular weight of 131.20 g/mol. Its IUPAC name is 1,3-thiazolidine-3-carboximidamide.

Molecular Properties

Compound Name1,3-thiazolidine-3-carboximidamide
PubChem CID45087475
Molecular FormulaC4H9N3S
Molecular Weight131.20 g/mol
Exact Mass131.05
IUPAC Name1,3-thiazolidine-3-carboximidamide
SMILES[H]/N=C(\N)N1CCSC1
InChIInChI=1S/C4H9N3S/c5-4(6)7-1-2-8-3-7/h1-3H2,(H3,5,6)
InChIKeyXGHWQRUSVQRGHM-UHFFFAOYSA-N
XLogP-0.11
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 5-0.11
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 1,3-thiazolidine-3-carboximidamide?
The IUPAC name of 1,3-thiazolidine-3-carboximidamide (CID 45087475) is 1,3-thiazolidine-3-carboximidamide.
What is the SMILES notation for 1,3-thiazolidine-3-carboximidamide?
The canonical SMILES for 1,3-thiazolidine-3-carboximidamide is [H]/N=C(\N)N1CCSC1.
What is the InChIKey of 1,3-thiazolidine-3-carboximidamide?
The InChIKey is XGHWQRUSVQRGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3S/c5-4(6)7-1-2-8-3-7/h1-3H2,(H3,5,6).
What are the key properties of 1,3-thiazolidine-3-carboximidamide?
1,3-thiazolidine-3-carboximidamide has a molecular weight of 131.20 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazolidine-3-carboximidamide is sourced from PubChem (CID 45087475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).