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

C10H18N4OS — CID 111465766

IUPAC2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methoxyethyl)guanidine
SMILESCCc1cnc(C/N=C(\N)NCCOC)s1
InChIInChI=1S/C10H18N4OS/c1-3-8-6-13-9(16-8)7-14-10(11)12-4-5-15-2/h6H,3-5,7H2,1-2H3,(H3,11,12,14)
InChIKeyNXAJCTXCHDZKIK-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.76
Rot. Bonds6

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

2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methoxyethyl)guanidine (PubChem CID 111465766) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methoxyethyl)guanidine
PubChem CID111465766
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methoxyethyl)guanidine
SMILESCCc1cnc(C/N=C(\N)NCCOC)s1
InChIInChI=1S/C10H18N4OS/c1-3-8-6-13-9(16-8)7-14-10(11)12-4-5-15-2/h6H,3-5,7H2,1-2H3,(H3,11,12,14)
InChIKeyNXAJCTXCHDZKIK-UHFFFAOYSA-N
XLogP0.76
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methoxyethyl)guanidine?
The IUPAC name of 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methoxyethyl)guanidine (CID 111465766) is 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methoxyethyl)guanidine?
The canonical SMILES for 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methoxyethyl)guanidine is CCc1cnc(C/N=C(\N)NCCOC)s1.
What is the InChIKey of 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methoxyethyl)guanidine?
The InChIKey is NXAJCTXCHDZKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-8-6-13-9(16-8)7-14-10(11)12-4-5-15-2/h6H,3-5,7H2,1-2H3,(H3,11,12,14).
What are the key properties of 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methoxyethyl)guanidine?
2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methoxyethyl)guanidine has a molecular weight of 242.35 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(2-methoxyethyl)guanidine is sourced from PubChem (CID 111465766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).