1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-2-methylguanidine

C7H12N4OS — CID 130855976

IUPAC1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCc1cc(OC)ns1
InChIInChI=1S/C7H12N4OS/c1-9-7(8)10-4-5-3-6(12-2)11-13-5/h3H,4H2,1-2H3,(H3,8,9,10)
InChIKeyNAJPPEHABZHSBA-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.19
Rot. Bonds3

About 1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-2-methylguanidine

1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-2-methylguanidine (PubChem CID 130855976) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-2-methylguanidine
PubChem CID130855976
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCc1cc(OC)ns1
InChIInChI=1S/C7H12N4OS/c1-9-7(8)10-4-5-3-6(12-2)11-13-5/h3H,4H2,1-2H3,(H3,8,9,10)
InChIKeyNAJPPEHABZHSBA-UHFFFAOYSA-N
XLogP0.19
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxy-1,2-thiazol-5-yl)methyl]-2-methylguanidine?
The IUPAC name of 1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-2-methylguanidine (CID 130855976) is 1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-2-methylguanidine is C/N=C(\N)NCc1cc(OC)ns1.
What is the InChIKey of 1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-2-methylguanidine?
The InChIKey is NAJPPEHABZHSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-9-7(8)10-4-5-3-6(12-2)11-13-5/h3H,4H2,1-2H3,(H3,8,9,10).
What are the key properties of 1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-2-methylguanidine?
1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-2-methylguanidine has a molecular weight of 200.27 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-1,2-thiazol-5-yl)methyl]-2-methylguanidine is sourced from PubChem (CID 130855976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).