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

C20H31N5OS2 — CID 111313918

IUPAC2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine
SMILESC/N=C(\NCCc1ccc(-c2csc(C)n2)s1)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C20H31N5OS2/c1-15-24-17(13-27-15)18-6-5-16(28-18)7-8-22-19(21-4)23-14-20(2,3)25-9-11-26-12-10-25/h5-6,13H,7-12,14H2,1-4H3,(H2,21,22,23)
InChIKeyRZOXKNLTWYNFMT-UHFFFAOYSA-N
MW421.64 g/mol
LogP3.00
Rot. Bonds7

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

2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine (PubChem CID 111313918) has the molecular formula C20H31N5OS2 and a molecular weight of 421.64 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine
PubChem CID111313918
Molecular FormulaC20H31N5OS2
Molecular Weight421.64 g/mol
Exact Mass421.20
IUPAC Name2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine
SMILESC/N=C(\NCCc1ccc(-c2csc(C)n2)s1)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C20H31N5OS2/c1-15-24-17(13-27-15)18-6-5-16(28-18)7-8-22-19(21-4)23-14-20(2,3)25-9-11-26-12-10-25/h5-6,13H,7-12,14H2,1-4H3,(H2,21,22,23)
InChIKeyRZOXKNLTWYNFMT-UHFFFAOYSA-N
XLogP3.00
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.64
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-tert-butyl-2-methyl-3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine
CID 110966972
tert-butyl N-[2-[[N'-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883812
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine;hydroiodide
CID 111594513
2-methyl-1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111616869
2-methyl-1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111708090
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111196914
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-naphthalen-1-ylethyl)guanidine;hydroiodide
CID 111314857
N-methyl-3-[2-[[N'-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]carbamimidoyl]amino]ethyl]benzamide
CID 111633859
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111765409
1-[2-(2,5-difluorophenyl)ethyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111965687
1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine;hydroiodide
CID 111878462
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111765408

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine?
The IUPAC name of 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine (CID 111313918) is 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine.
What is the SMILES notation for 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine?
The canonical SMILES for 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine is C/N=C(\NCCc1ccc(-c2csc(C)n2)s1)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine?
The InChIKey is RZOXKNLTWYNFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5OS2/c1-15-24-17(13-27-15)18-6-5-16(28-18)7-8-22-19(21-4)23-14-20(2,3)25-9-11-26-12-10-25/h5-6,13H,7-12,14H2,1-4H3,(H2,21,22,23).
What are the key properties of 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine?
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine has a molecular weight of 421.64 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine is sourced from PubChem (CID 111313918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).