2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine

C19H30N4O2S — CID 111400309

IUPAC2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
SMILESCCN/C(=N\Cc1csc(C(C)(C)C)n1)NCCCOCc1ccco1
InChIInChI=1S/C19H30N4O2S/c1-5-20-18(21-9-7-10-24-13-16-8-6-11-25-16)22-12-15-14-26-17(23-15)19(2,3)4/h6,8,11,14H,5,7,9-10,12-13H2,1-4H3,(H2,20,21,22)
InChIKeyRLNXDILNNBRCKS-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.70
Rot. Bonds9

About 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine

2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine (PubChem CID 111400309) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine.

Molecular Properties

Compound Name2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
PubChem CID111400309
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
SMILESCCN/C(=N\Cc1csc(C(C)(C)C)n1)NCCCOCc1ccco1
InChIInChI=1S/C19H30N4O2S/c1-5-20-18(21-9-7-10-24-13-16-8-6-11-25-16)22-12-15-14-26-17(23-15)19(2,3)4/h6,8,11,14H,5,7,9-10,12-13H2,1-4H3,(H2,20,21,22)
InChIKeyRLNXDILNNBRCKS-UHFFFAOYSA-N
XLogP3.70
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

2-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111965239
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938717
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111407064
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111399983
2-[(4-bromothiophen-2-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111399360
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111399297
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111351420
N-tert-butyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111385631
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111399086
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111399612
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[(3-hydroxyphenyl)methyl]guanidine
CID 111399519
2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111776556

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine?
The IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine (CID 111400309) is 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine.
What is the SMILES notation for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine?
The canonical SMILES for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine is CCN/C(=N\Cc1csc(C(C)(C)C)n1)NCCCOCc1ccco1.
What is the InChIKey of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine?
The InChIKey is RLNXDILNNBRCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-5-20-18(21-9-7-10-24-13-16-8-6-11-25-16)22-12-15-14-26-17(23-15)19(2,3)4/h6,8,11,14H,5,7,9-10,12-13H2,1-4H3,(H2,20,21,22).
What are the key properties of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine?
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine has a molecular weight of 378.54 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine is sourced from PubChem (CID 111400309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).