2-[4-(3-aminooxypropyl)-1,3-thiazol-2-yl]guanidine

C7H13N5OS — CID 13318030

IUPAC2-[4-(3-aminooxypropyl)-1,3-thiazol-2-yl]guanidine
SMILESNOCCCc1csc(N=C(N)N)n1
InChIInChI=1S/C7H13N5OS/c8-6(9)12-7-11-5(4-14-7)2-1-3-13-10/h4H,1-3,10H2,(H4,8,9,11,12)
InChIKeyONCGOHUAWIWWFE-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.13
Rot. Bonds5

About 2-[4-(3-aminooxypropyl)-1,3-thiazol-2-yl]guanidine

2-[4-(3-aminooxypropyl)-1,3-thiazol-2-yl]guanidine (PubChem CID 13318030) has the molecular formula C7H13N5OS and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-[4-(3-aminooxypropyl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(3-aminooxypropyl)-1,3-thiazol-2-yl]guanidine
PubChem CID13318030
Molecular FormulaC7H13N5OS
Molecular Weight215.28 g/mol
Exact Mass215.08
IUPAC Name2-[4-(3-aminooxypropyl)-1,3-thiazol-2-yl]guanidine
SMILESNOCCCc1csc(N=C(N)N)n1
InChIInChI=1S/C7H13N5OS/c8-6(9)12-7-11-5(4-14-7)2-1-3-13-10/h4H,1-3,10H2,(H4,8,9,11,12)
InChIKeyONCGOHUAWIWWFE-UHFFFAOYSA-N
XLogP-0.13
TPSA112.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminooxypropyl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(3-aminooxypropyl)-1,3-thiazol-2-yl]guanidine (CID 13318030) is 2-[4-(3-aminooxypropyl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(3-aminooxypropyl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(3-aminooxypropyl)-1,3-thiazol-2-yl]guanidine is NOCCCc1csc(N=C(N)N)n1.
What is the InChIKey of 2-[4-(3-aminooxypropyl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is ONCGOHUAWIWWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5OS/c8-6(9)12-7-11-5(4-14-7)2-1-3-13-10/h4H,1-3,10H2,(H4,8,9,11,12).
What are the key properties of 2-[4-(3-aminooxypropyl)-1,3-thiazol-2-yl]guanidine?
2-[4-(3-aminooxypropyl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 215.28 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminooxypropyl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 13318030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).