1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine

C14H20N4OS — CID 111770476

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCc1nc(C)c(C)s1
InChIInChI=1S/C14H20N4OS/c1-4-15-14(16-8-12-6-5-7-19-12)17-9-13-18-10(2)11(3)20-13/h5-7H,4,8-9H2,1-3H3,(H2,15,16,17)
InChIKeyQQZYBIDYNSCYPM-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.61
Rot. Bonds5

About 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine (PubChem CID 111770476) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
PubChem CID111770476
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCc1nc(C)c(C)s1
InChIInChI=1S/C14H20N4OS/c1-4-15-14(16-8-12-6-5-7-19-12)17-9-13-18-10(2)11(3)20-13/h5-7H,4,8-9H2,1-3H3,(H2,15,16,17)
InChIKeyQQZYBIDYNSCYPM-UHFFFAOYSA-N
XLogP2.61
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
2-[(5-chlorothiophen-2-yl)methyl]-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethylguanidine
CID 119163143
2-[(4-bromophenyl)methyl]-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 111977643
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111774455
1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 116511394
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-[(2,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111775845
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111776837
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111987838
2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111775778
2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110060083
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937479
1-tert-butyl-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110965775

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine (CID 111770476) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccco1)NCc1nc(C)c(C)s1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
The InChIKey is QQZYBIDYNSCYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-4-15-14(16-8-12-6-5-7-19-12)17-9-13-18-10(2)11(3)20-13/h5-7H,4,8-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine has a molecular weight of 292.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine is sourced from PubChem (CID 111770476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).