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

C6H10N4S — CID 3082516

IUPAC2-[(3-methyl-1,2-thiazol-4-yl)methyl]guanidine
SMILESCc1nscc1CN=C(N)N
InChIInChI=1S/C6H10N4S/c1-4-5(3-11-10-4)2-9-6(7)8/h3H,2H2,1H3,(H4,7,8,9)
InChIKeySCHALQHCWJOFNG-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.22
Rot. Bonds2

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

2-[(3-methyl-1,2-thiazol-4-yl)methyl]guanidine (PubChem CID 3082516) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-[(3-methyl-1,2-thiazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(3-methyl-1,2-thiazol-4-yl)methyl]guanidine
PubChem CID3082516
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name2-[(3-methyl-1,2-thiazol-4-yl)methyl]guanidine
SMILESCc1nscc1CN=C(N)N
InChIInChI=1S/C6H10N4S/c1-4-5(3-11-10-4)2-9-6(7)8/h3H,2H2,1H3,(H4,7,8,9)
InChIKeySCHALQHCWJOFNG-UHFFFAOYSA-N
XLogP0.22
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.22
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 2-[(3-methyl-1,2-thiazol-4-yl)methyl]guanidine?
The IUPAC name of 2-[(3-methyl-1,2-thiazol-4-yl)methyl]guanidine (CID 3082516) is 2-[(3-methyl-1,2-thiazol-4-yl)methyl]guanidine.
What is the SMILES notation for 2-[(3-methyl-1,2-thiazol-4-yl)methyl]guanidine?
The canonical SMILES for 2-[(3-methyl-1,2-thiazol-4-yl)methyl]guanidine is Cc1nscc1CN=C(N)N.
What is the InChIKey of 2-[(3-methyl-1,2-thiazol-4-yl)methyl]guanidine?
The InChIKey is SCHALQHCWJOFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-4-5(3-11-10-4)2-9-6(7)8/h3H,2H2,1H3,(H4,7,8,9).
What are the key properties of 2-[(3-methyl-1,2-thiazol-4-yl)methyl]guanidine?
2-[(3-methyl-1,2-thiazol-4-yl)methyl]guanidine has a molecular weight of 170.24 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2-thiazol-4-yl)methyl]guanidine is sourced from PubChem (CID 3082516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).