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

C8H15N5S — CID 20567777

IUPAC2-methyl-1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]guanidine
SMILESC/N=C(\N)NCCNCc1nccs1
InChIInChI=1S/C8H15N5S/c1-10-8(9)13-3-2-11-6-7-12-4-5-14-7/h4-5,11H,2-3,6H2,1H3,(H3,9,10,13)
InChIKeyTVLGXCYGMRZAJF-UHFFFAOYSA-N
MW213.31 g/mol
LogP-0.23
Rot. Bonds5

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

2-methyl-1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]guanidine (PubChem CID 20567777) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-methyl-1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]guanidine
PubChem CID20567777
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC Name2-methyl-1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]guanidine
SMILESC/N=C(\N)NCCNCc1nccs1
InChIInChI=1S/C8H15N5S/c1-10-8(9)13-3-2-11-6-7-12-4-5-14-7/h4-5,11H,2-3,6H2,1H3,(H3,9,10,13)
InChIKeyTVLGXCYGMRZAJF-UHFFFAOYSA-N
XLogP-0.23
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 5-0.23
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-methyl-1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]guanidine?
The IUPAC name of 2-methyl-1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]guanidine (CID 20567777) is 2-methyl-1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]guanidine.
What is the SMILES notation for 2-methyl-1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]guanidine?
The canonical SMILES for 2-methyl-1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]guanidine is C/N=C(\N)NCCNCc1nccs1.
What is the InChIKey of 2-methyl-1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]guanidine?
The InChIKey is TVLGXCYGMRZAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-10-8(9)13-3-2-11-6-7-12-4-5-14-7/h4-5,11H,2-3,6H2,1H3,(H3,9,10,13).
What are the key properties of 2-methyl-1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]guanidine?
2-methyl-1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]guanidine has a molecular weight of 213.31 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(1,3-thiazol-2-ylmethylamino)ethyl]guanidine is sourced from PubChem (CID 20567777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).