2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine

C16H24N4S2 — CID 111804650

IUPAC2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
SMILESCC(C)(C)c1csc(CC/N=C(\N)NCCc2cccs2)n1
InChIInChI=1S/C16H24N4S2/c1-16(2,3)13-11-22-14(20-13)7-9-19-15(17)18-8-6-12-5-4-10-21-12/h4-5,10-11H,6-9H2,1-3H3,(H3,17,18,19)
InChIKeyLPXBWYPZMQKORX-UHFFFAOYSA-N
MW336.53 g/mol
LogP3.19
Rot. Bonds6

About 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine

2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111804650) has the molecular formula C16H24N4S2 and a molecular weight of 336.53 g/mol. Its IUPAC name is 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
PubChem CID111804650
Molecular FormulaC16H24N4S2
Molecular Weight336.53 g/mol
Exact Mass336.14
IUPAC Name2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
SMILESCC(C)(C)c1csc(CC/N=C(\N)NCCc2cccs2)n1
InChIInChI=1S/C16H24N4S2/c1-16(2,3)13-11-22-14(20-13)7-9-19-15(17)18-8-6-12-5-4-10-21-12/h4-5,10-11H,6-9H2,1-3H3,(H3,17,18,19)
InChIKeyLPXBWYPZMQKORX-UHFFFAOYSA-N
XLogP3.19
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.53
LogP ≤ 53.19
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

2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine
CID 111804732
2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111098800
1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111837127
2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111023170
2-propyl-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111820928
2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111022609
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111091206
2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111044052
2-hexyl-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111820944
2-(3-methylbutyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111820895
2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111024901
2-[7-(dimethylamino)heptyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111084900

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine (CID 111804650) is 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine is CC(C)(C)c1csc(CC/N=C(\N)NCCc2cccs2)n1.
What is the InChIKey of 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is LPXBWYPZMQKORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S2/c1-16(2,3)13-11-22-14(20-13)7-9-19-15(17)18-8-6-12-5-4-10-21-12/h4-5,10-11H,6-9H2,1-3H3,(H3,17,18,19).
What are the key properties of 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine?
2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 336.53 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111804650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).