2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine

C7H13N5S — CID 20567703

IUPAC2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine
SMILESNC(N)=NCCNCc1cscn1
InChIInChI=1S/C7H13N5S/c8-7(9)11-2-1-10-3-6-4-13-5-12-6/h4-5,10H,1-3H2,(H4,8,9,11)
InChIKeyJGRXNGNGYHACRT-UHFFFAOYSA-N
MW199.28 g/mol
LogP-0.49
Rot. Bonds5

About 2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine

2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine (PubChem CID 20567703) has the molecular formula C7H13N5S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine
PubChem CID20567703
Molecular FormulaC7H13N5S
Molecular Weight199.28 g/mol
Exact Mass199.09
IUPAC Name2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine
SMILESNC(N)=NCCNCc1cscn1
InChIInChI=1S/C7H13N5S/c8-7(9)11-2-1-10-3-6-4-13-5-12-6/h4-5,10H,1-3H2,(H4,8,9,11)
InChIKeyJGRXNGNGYHACRT-UHFFFAOYSA-N
XLogP-0.49
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine?
The IUPAC name of 2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine (CID 20567703) is 2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine.
What is the SMILES notation for 2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine?
The canonical SMILES for 2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine is NC(N)=NCCNCc1cscn1.
What is the InChIKey of 2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine?
The InChIKey is JGRXNGNGYHACRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5S/c8-7(9)11-2-1-10-3-6-4-13-5-12-6/h4-5,10H,1-3H2,(H4,8,9,11).
What are the key properties of 2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine?
2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine has a molecular weight of 199.28 g/mol, XLogP of -0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine is sourced from PubChem (CID 20567703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).