2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine

C9H14N4S — CID 111465365

IUPAC2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/Cc1ncc(C)s1
InChIInChI=1S/C9H14N4S/c1-3-4-11-9(10)13-6-8-12-5-7(2)14-8/h3,5H,1,4,6H2,2H3,(H3,10,11,13)
InChIKeyQIFGTKLKRIEVBE-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.04
Rot. Bonds4

About 2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine

2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine (PubChem CID 111465365) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine
PubChem CID111465365
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/Cc1ncc(C)s1
InChIInChI=1S/C9H14N4S/c1-3-4-11-9(10)13-6-8-12-5-7(2)14-8/h3,5H,1,4,6H2,2H3,(H3,10,11,13)
InChIKeyQIFGTKLKRIEVBE-UHFFFAOYSA-N
XLogP1.04
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.04
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine?
The IUPAC name of 2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine (CID 111465365) is 2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine.
What is the SMILES notation for 2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine?
The canonical SMILES for 2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine is C=CCN/C(N)=N/Cc1ncc(C)s1.
What is the InChIKey of 2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine?
The InChIKey is QIFGTKLKRIEVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-3-4-11-9(10)13-6-8-12-5-7(2)14-8/h3,5H,1,4,6H2,2H3,(H3,10,11,13).
What are the key properties of 2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine?
2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine has a molecular weight of 210.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine is sourced from PubChem (CID 111465365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).