1-[2-(furan-2-yl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine

C19H28N4O2S — CID 110050798

IUPAC1-[2-(furan-2-yl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine
SMILESCc1cnc(CCN/C(=N/CC2CCCCO2)NCCc2ccco2)s1
InChIInChI=1S/C19H28N4O2S/c1-15-13-22-18(26-15)8-10-21-19(20-9-7-16-6-4-12-24-16)23-14-17-5-2-3-11-25-17/h4,6,12-13,17H,2-3,5,7-11,14H2,1H3,(H2,20,21,23)
InChIKeyVLHFYSZNQVXMBH-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.93
Rot. Bonds8

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

1-[2-(furan-2-yl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine (PubChem CID 110050798) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine
PubChem CID110050798
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine
SMILESCc1cnc(CCN/C(=N/CC2CCCCO2)NCCc2ccco2)s1
InChIInChI=1S/C19H28N4O2S/c1-15-13-22-18(26-15)8-10-21-19(20-9-7-16-6-4-12-24-16)23-14-17-5-2-3-11-25-17/h4,6,12-13,17H,2-3,5,7-11,14H2,1H3,(H2,20,21,23)
InChIKeyVLHFYSZNQVXMBH-UHFFFAOYSA-N
XLogP2.93
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.93
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

1-[2-(furan-2-yl)ethyl]-2-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(oxan-2-ylmethyl)guanidine
CID 110051470
1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 111842135
1-[2-(furan-2-yl)ethyl]-3-(oxan-2-ylmethyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111651671
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-(2-phenylethyl)guanidine;hydroiodide
CID 111751463
1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine
CID 110050768
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-prop-2-enylguanidine;hydroiodide
CID 111355047
1-[2-(furan-2-yl)ethyl]-3-(6-hydroxyhexyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 110050991
1-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)-3-pentylguanidine
CID 111538242
N-[2-[[N-[2-(furan-2-yl)ethyl]-N'-(oxan-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 110052215
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111491741
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-(thian-3-yl)guanidine;hydroiodide
CID 110056783
1-[2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-2-(oxolan-2-ylmethyl)guanidine
CID 111494562

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine (CID 110050798) is 1-[2-(furan-2-yl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine is Cc1cnc(CCN/C(=N/CC2CCCCO2)NCCc2ccco2)s1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine?
The InChIKey is VLHFYSZNQVXMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-15-13-22-18(26-15)8-10-21-19(20-9-7-16-6-4-12-24-16)23-14-17-5-2-3-11-25-17/h4,6,12-13,17H,2-3,5,7-11,14H2,1H3,(H2,20,21,23).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine?
1-[2-(furan-2-yl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine has a molecular weight of 376.53 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine is sourced from PubChem (CID 110050798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).