2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine

C7H12N4S — CID 63284109

IUPAC2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
SMILESC/N=C(\N)NCc1scnc1C
InChIInChI=1S/C7H12N4S/c1-5-6(12-4-11-5)3-10-7(8)9-2/h4H,3H2,1-2H3,(H3,8,9,10)
InChIKeyQTJMBWXETFCHBP-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.49
Rot. Bonds2

About 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine

2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine (PubChem CID 63284109) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
PubChem CID63284109
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
SMILESC/N=C(\N)NCc1scnc1C
InChIInChI=1S/C7H12N4S/c1-5-6(12-4-11-5)3-10-7(8)9-2/h4H,3H2,1-2H3,(H3,8,9,10)
InChIKeyQTJMBWXETFCHBP-UHFFFAOYSA-N
XLogP0.49
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.49
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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Related Compounds

2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267
N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119115606
2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111893970
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110970571
1-(3-methoxypropyl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 110976101
1-[(2-ethylphenyl)methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111635248
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373273
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111605988
N',4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111210020
2-carbamothioyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 63283874
(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 130609015

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine (CID 63284109) is 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine is C/N=C(\N)NCc1scnc1C.
What is the InChIKey of 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The InChIKey is QTJMBWXETFCHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-5-6(12-4-11-5)3-10-7(8)9-2/h4H,3H2,1-2H3,(H3,8,9,10).
What are the key properties of 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine?
2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine has a molecular weight of 184.27 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine is sourced from PubChem (CID 63284109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).