1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide

C18H34IN5OS — CID 111837993

IUPAC1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1csc(C(C)C)n1)NCC(C)(C)N1CCOCC1.I
InChIInChI=1S/C18H33N5OS.HI/c1-6-19-17(20-11-15-12-25-16(22-15)14(2)3)21-13-18(4,5)23-7-9-24-10-8-23;/h12,14H,6-11,13H2,1-5H3,(H2,19,20,21);1H
InChIKeyDUJXPJDDQBHFIQ-UHFFFAOYSA-N
MW495.48 g/mol
LogP3.05
Rot. Bonds7

About 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide

1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide (PubChem CID 111837993) has the molecular formula C18H34IN5OS and a molecular weight of 495.48 g/mol. Its IUPAC name is 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
PubChem CID111837993
Molecular FormulaC18H34IN5OS
Molecular Weight495.48 g/mol
Exact Mass495.15
IUPAC Name1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1csc(C(C)C)n1)NCC(C)(C)N1CCOCC1.I
InChIInChI=1S/C18H33N5OS.HI/c1-6-19-17(20-11-15-12-25-16(22-15)14(2)3)21-13-18(4,5)23-7-9-24-10-8-23;/h12,14H,6-11,13H2,1-5H3,(H2,19,20,21);1H
InChIKeyDUJXPJDDQBHFIQ-UHFFFAOYSA-N
XLogP3.05
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.48
LogP ≤ 53.05
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111314203
1-tert-butyl-3-ethyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine
CID 111547093
1-ethyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111837815
1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111832837
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111774809
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187412
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111315657
1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111313165
1-ethyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111834346
1-ethyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111547376
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111315002
4-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111313785

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide (CID 111837993) is 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide is CCN/C(=N\Cc1csc(C(C)C)n1)NCC(C)(C)N1CCOCC1.I.
What is the InChIKey of 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide?
The InChIKey is DUJXPJDDQBHFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5OS.HI/c1-6-19-17(20-11-15-12-25-16(22-15)14(2)3)21-13-18(4,5)23-7-9-24-10-8-23;/h12,14H,6-11,13H2,1-5H3,(H2,19,20,21);1H.
What are the key properties of 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide?
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide has a molecular weight of 495.48 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111837993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).