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

C14H25N5OS — CID 111793166

IUPAC2-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine
SMILESC/N=C(\NCCc1ncc(C)s1)NCCN1CCOCC1
InChIInChI=1S/C14H25N5OS/c1-12-11-18-13(21-12)3-4-16-14(15-2)17-5-6-19-7-9-20-10-8-19/h11H,3-10H2,1-2H3,(H2,15,16,17)
InChIKeyGFRYJDWDBLWDQQ-UHFFFAOYSA-N
MW311.45 g/mol
LogP0.49
Rot. Bonds6

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

2-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine (PubChem CID 111793166) has the molecular formula C14H25N5OS and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine
PubChem CID111793166
Molecular FormulaC14H25N5OS
Molecular Weight311.45 g/mol
Exact Mass311.18
IUPAC Name2-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine
SMILESC/N=C(\NCCc1ncc(C)s1)NCCN1CCOCC1
InChIInChI=1S/C14H25N5OS/c1-12-11-18-13(21-12)3-4-16-14(15-2)17-5-6-19-7-9-20-10-8-19/h11H,3-10H2,1-2H3,(H2,15,16,17)
InChIKeyGFRYJDWDBLWDQQ-UHFFFAOYSA-N
XLogP0.49
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111797154
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111523695
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine
CID 111531595
1,2-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 111465161
1-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111072329
2-methyl-1-(3-methylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 111790680
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111090723
2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine
CID 111022923
1-[3-(azepan-1-yl)propyl]-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111516051
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111534886
2-methyl-1-[4-(4-methylpiperazin-1-yl)butyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111524954
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111518827

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 2-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine (CID 111793166) is 2-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 2-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine is C/N=C(\NCCc1ncc(C)s1)NCCN1CCOCC1.
What is the InChIKey of 2-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is GFRYJDWDBLWDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-12-11-18-13(21-12)3-4-16-14(15-2)17-5-6-19-7-9-20-10-8-19/h11H,3-10H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine?
2-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 311.45 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 111793166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).