1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propyl-2-(thiophen-2-ylmethyl)guanidine

C15H22N4S2 — CID 75535415

IUPAC1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propyl-2-(thiophen-2-ylmethyl)guanidine
SMILESCCCN/C(=N\Cc1cccs1)NCCc1csc(C)n1
InChIInChI=1S/C15H22N4S2/c1-3-7-16-15(18-10-14-5-4-9-20-14)17-8-6-13-11-21-12(2)19-13/h4-5,9,11H,3,6-8,10H2,1-2H3,(H2,16,17,18)
InChIKeyZRTDJVYAEBDBGI-UHFFFAOYSA-N
MW322.50 g/mol
LogP3.20
Rot. Bonds7

About 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propyl-2-(thiophen-2-ylmethyl)guanidine

1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propyl-2-(thiophen-2-ylmethyl)guanidine (PubChem CID 75535415) has the molecular formula C15H22N4S2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propyl-2-(thiophen-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propyl-2-(thiophen-2-ylmethyl)guanidine
PubChem CID75535415
Molecular FormulaC15H22N4S2
Molecular Weight322.50 g/mol
Exact Mass322.13
IUPAC Name1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propyl-2-(thiophen-2-ylmethyl)guanidine
SMILESCCCN/C(=N\Cc1cccs1)NCCc1csc(C)n1
InChIInChI=1S/C15H22N4S2/c1-3-7-16-15(18-10-14-5-4-9-20-14)17-8-6-13-11-21-12(2)19-13/h4-5,9,11H,3,6-8,10H2,1-2H3,(H2,16,17,18)
InChIKeyZRTDJVYAEBDBGI-UHFFFAOYSA-N
XLogP3.20
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 53.20
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-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 84584019
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350969
2-benzyl-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 110954784
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111898340
1-ethyl-3-propyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111225400
1-ethyl-2-[(4-methylphenyl)methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111243977
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[[2-(propoxymethyl)phenyl]methyl]guanidine
CID 111934073
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111932667
2-[(4-chlorophenyl)methyl]-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111131669
2-[[3-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111934356
1-ethyl-2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111690906
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111934457

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propyl-2-(thiophen-2-ylmethyl)guanidine?
The IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propyl-2-(thiophen-2-ylmethyl)guanidine (CID 75535415) is 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propyl-2-(thiophen-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propyl-2-(thiophen-2-ylmethyl)guanidine?
The canonical SMILES for 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propyl-2-(thiophen-2-ylmethyl)guanidine is CCCN/C(=N\Cc1cccs1)NCCc1csc(C)n1.
What is the InChIKey of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propyl-2-(thiophen-2-ylmethyl)guanidine?
The InChIKey is ZRTDJVYAEBDBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S2/c1-3-7-16-15(18-10-14-5-4-9-20-14)17-8-6-13-11-21-12(2)19-13/h4-5,9,11H,3,6-8,10H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propyl-2-(thiophen-2-ylmethyl)guanidine?
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propyl-2-(thiophen-2-ylmethyl)guanidine has a molecular weight of 322.50 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-propyl-2-(thiophen-2-ylmethyl)guanidine is sourced from PubChem (CID 75535415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).