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

C6H9ClN4S — CID 71372509

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCc1cnc(Cl)s1
InChIInChI=1S/C6H9ClN4S/c1-9-6(8)11-3-4-2-10-5(7)12-4/h2H,3H2,1H3,(H3,8,9,11)
InChIKeyMHIUXKNNQDINSL-UHFFFAOYSA-N
MW204.69 g/mol
LogP0.83
Rot. Bonds2

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

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylguanidine (PubChem CID 71372509) has the molecular formula C6H9ClN4S and a molecular weight of 204.69 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylguanidine
PubChem CID71372509
Molecular FormulaC6H9ClN4S
Molecular Weight204.69 g/mol
Exact Mass204.02
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylguanidine
SMILESC/N=C(\N)NCc1cnc(Cl)s1
InChIInChI=1S/C6H9ClN4S/c1-9-6(8)11-3-4-2-10-5(7)12-4/h2H,3H2,1H3,(H3,8,9,11)
InChIKeyMHIUXKNNQDINSL-UHFFFAOYSA-N
XLogP0.83
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.69
LogP ≤ 50.83
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'}

Analyze 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylguanidine?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylguanidine (CID 71372509) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylguanidine is C/N=C(\N)NCc1cnc(Cl)s1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylguanidine?
The InChIKey is MHIUXKNNQDINSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4S/c1-9-6(8)11-3-4-2-10-5(7)12-4/h2H,3H2,1H3,(H3,8,9,11).
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylguanidine?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylguanidine has a molecular weight of 204.69 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylguanidine is sourced from PubChem (CID 71372509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).