1,3-thiazole-2-carboximidamide

C4H5N3S — CID 10887911

IUPAC1,3-thiazole-2-carboximidamide
SMILES[H]/N=C(\N)c1nccs1
InChIInChI=1S/C4H5N3S/c5-3(6)4-7-1-2-8-4/h1-2H,(H3,5,6)
InChIKeyLKSRVNUPZNSFTE-UHFFFAOYSA-N
MW127.17 g/mol
LogP0.43
Rot. Bonds1

About 1,3-thiazole-2-carboximidamide

1,3-thiazole-2-carboximidamide (PubChem CID 10887911) has the molecular formula C4H5N3S and a molecular weight of 127.17 g/mol. Its IUPAC name is 1,3-thiazole-2-carboximidamide.

Molecular Properties

Compound Name1,3-thiazole-2-carboximidamide
PubChem CID10887911
Molecular FormulaC4H5N3S
Molecular Weight127.17 g/mol
Exact Mass127.02
IUPAC Name1,3-thiazole-2-carboximidamide
SMILES[H]/N=C(\N)c1nccs1
InChIInChI=1S/C4H5N3S/c5-3(6)4-7-1-2-8-4/h1-2H,(H3,5,6)
InChIKeyLKSRVNUPZNSFTE-UHFFFAOYSA-N
XLogP0.43
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-thiazole-2-carboximidamide?
The IUPAC name of 1,3-thiazole-2-carboximidamide (CID 10887911) is 1,3-thiazole-2-carboximidamide.
What is the SMILES notation for 1,3-thiazole-2-carboximidamide?
The canonical SMILES for 1,3-thiazole-2-carboximidamide is [H]/N=C(\N)c1nccs1.
What is the InChIKey of 1,3-thiazole-2-carboximidamide?
The InChIKey is LKSRVNUPZNSFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3S/c5-3(6)4-7-1-2-8-4/h1-2H,(H3,5,6).
What are the key properties of 1,3-thiazole-2-carboximidamide?
1,3-thiazole-2-carboximidamide has a molecular weight of 127.17 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-2-carboximidamide is sourced from PubChem (CID 10887911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).