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

C19H31N5OS — CID 111533993

IUPAC1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ncc(CC)s1)NCC(c1ccco1)N(CC)CC
InChIInChI=1S/C19H31N5OS/c1-5-15-12-21-18(26-15)14-23-19(20-6-2)22-13-16(24(7-3)8-4)17-10-9-11-25-17/h9-12,16H,5-8,13-14H2,1-4H3,(H2,20,22,23)
InChIKeyBRARTIZYFDVNCK-UHFFFAOYSA-N
MW377.56 g/mol
LogP3.44
Rot. Bonds10

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

1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine (PubChem CID 111533993) has the molecular formula C19H31N5OS and a molecular weight of 377.56 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
PubChem CID111533993
Molecular FormulaC19H31N5OS
Molecular Weight377.56 g/mol
Exact Mass377.22
IUPAC Name1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ncc(CC)s1)NCC(c1ccco1)N(CC)CC
InChIInChI=1S/C19H31N5OS/c1-5-15-12-21-18(26-15)14-23-19(20-6-2)22-13-16(24(7-3)8-4)17-10-9-11-25-17/h9-12,16H,5-8,13-14H2,1-4H3,(H2,20,22,23)
InChIKeyBRARTIZYFDVNCK-UHFFFAOYSA-N
XLogP3.44
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 53.44
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-(dimethylamino)-2-thiophen-2-ylethyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111535111
1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-methylpropyl)guanidine;hydroiodide
CID 111511692
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111533271
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111535748
1-[3-(diethylamino)propyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111534762
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111374323
1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-hydroxy-2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111535273
1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-hexylguanidine;hydroiodide
CID 111511211
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111020744
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
CID 111514912
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111892991
1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide
CID 111534645

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine?
The IUPAC name of 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine (CID 111533993) is 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine.
What is the SMILES notation for 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine?
The canonical SMILES for 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine is CCN/C(=N\Cc1ncc(CC)s1)NCC(c1ccco1)N(CC)CC.
What is the InChIKey of 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine?
The InChIKey is BRARTIZYFDVNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5OS/c1-5-15-12-21-18(26-15)14-23-19(20-6-2)22-13-16(24(7-3)8-4)17-10-9-11-25-17/h9-12,16H,5-8,13-14H2,1-4H3,(H2,20,22,23).
What are the key properties of 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine?
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine has a molecular weight of 377.56 g/mol, XLogP of 3.44, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine is sourced from PubChem (CID 111533993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).