2-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(thiophen-2-ylmethyl)guanidine

C11H14N4S2 — CID 119131208

IUPAC2-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(thiophen-2-ylmethyl)guanidine
SMILESC/N=C(\NCc1cccs1)NCc1nccs1
InChIInChI=1S/C11H14N4S2/c1-12-11(14-7-9-3-2-5-16-9)15-8-10-13-4-6-17-10/h2-6H,7-8H2,1H3,(H2,12,14,15)
InChIKeyLHTWTZNPCPHOMB-UHFFFAOYSA-N
MW266.40 g/mol
LogP2.07
Rot. Bonds4

About 2-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(thiophen-2-ylmethyl)guanidine

2-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(thiophen-2-ylmethyl)guanidine (PubChem CID 119131208) has the molecular formula C11H14N4S2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(thiophen-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(thiophen-2-ylmethyl)guanidine
PubChem CID119131208
Molecular FormulaC11H14N4S2
Molecular Weight266.40 g/mol
Exact Mass266.07
IUPAC Name2-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(thiophen-2-ylmethyl)guanidine
SMILESC/N=C(\NCc1cccs1)NCc1nccs1
InChIInChI=1S/C11H14N4S2/c1-12-11(14-7-9-3-2-5-16-9)15-8-10-13-4-6-17-10/h2-6H,7-8H2,1H3,(H2,12,14,15)
InChIKeyLHTWTZNPCPHOMB-UHFFFAOYSA-N
XLogP2.07
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 52.07
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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Related Compounds

2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 119131200
2-methyl-1-(2-pyridin-2-ylethyl)-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111191177
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111260346
2-methyl-1-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111257495
1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 119131184
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111592897
1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 119131183
2-methyl-1-(3-methylbutan-2-yl)-3-(1,3-thiazol-2-ylmethyl)guanidine;hydroiodide
CID 119116815
1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111257768
1-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111257502
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111215477
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111257510

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(thiophen-2-ylmethyl)guanidine?
The IUPAC name of 2-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(thiophen-2-ylmethyl)guanidine (CID 119131208) is 2-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(thiophen-2-ylmethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(thiophen-2-ylmethyl)guanidine?
The canonical SMILES for 2-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(thiophen-2-ylmethyl)guanidine is C/N=C(\NCc1cccs1)NCc1nccs1.
What is the InChIKey of 2-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(thiophen-2-ylmethyl)guanidine?
The InChIKey is LHTWTZNPCPHOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S2/c1-12-11(14-7-9-3-2-5-16-9)15-8-10-13-4-6-17-10/h2-6H,7-8H2,1H3,(H2,12,14,15).
What are the key properties of 2-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(thiophen-2-ylmethyl)guanidine?
2-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(thiophen-2-ylmethyl)guanidine has a molecular weight of 266.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(thiophen-2-ylmethyl)guanidine is sourced from PubChem (CID 119131208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).