1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine

C17H26N4OS — CID 110051998

IUPAC1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
SMILESC/N=C(/NCCc1csc(C(C)(C)C)n1)NCCc1ccco1
InChIInChI=1S/C17H26N4OS/c1-17(2,3)15-21-13(12-23-15)7-9-19-16(18-4)20-10-8-14-6-5-11-22-14/h5-6,11-12H,7-10H2,1-4H3,(H2,18,19,20)
InChIKeyZOYIDEFIXJYILR-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.98
Rot. Bonds6

About 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine

1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine (PubChem CID 110051998) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
PubChem CID110051998
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
SMILESC/N=C(/NCCc1csc(C(C)(C)C)n1)NCCc1ccco1
InChIInChI=1S/C17H26N4OS/c1-17(2,3)15-21-13(12-23-15)7-9-19-16(18-4)20-10-8-14-6-5-11-22-14/h5-6,11-12H,7-10H2,1-4H3,(H2,18,19,20)
InChIKeyZOYIDEFIXJYILR-UHFFFAOYSA-N
XLogP2.98
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.98
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'}

Analyze 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111354218
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
CID 111356768
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111398915
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111356221
1-(3-anilinopropyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111353768
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111400309
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 111170599
1-[2-(furan-2-yl)ethyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine
CID 111354404
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111355461
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 84590629
1-(2-chloroprop-2-enyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 119141173
1-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111354676

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine (CID 110051998) is 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine is C/N=C(/NCCc1csc(C(C)(C)C)n1)NCCc1ccco1.
What is the InChIKey of 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
The InChIKey is ZOYIDEFIXJYILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-17(2,3)15-21-13(12-23-15)7-9-19-16(18-4)20-10-8-14-6-5-11-22-14/h5-6,11-12H,7-10H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine?
1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine has a molecular weight of 334.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 110051998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).