1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine

C14H22N6S — CID 111531465

IUPAC1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine
SMILESCCc1cnc(CCN/C(=N/C)NCCn2ccnc2)s1
InChIInChI=1S/C14H22N6S/c1-3-12-10-19-13(21-12)4-5-17-14(15-2)18-7-9-20-8-6-16-11-20/h6,8,10-11H,3-5,7,9H2,1-2H3,(H2,15,17,18)
InChIKeyHWNHVEMYNURDHE-UHFFFAOYSA-N
MW306.44 g/mol
LogP1.31
Rot. Bonds7

About 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine

1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine (PubChem CID 111531465) has the molecular formula C14H22N6S and a molecular weight of 306.44 g/mol. Its IUPAC name is 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine
PubChem CID111531465
Molecular FormulaC14H22N6S
Molecular Weight306.44 g/mol
Exact Mass306.16
IUPAC Name1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine
SMILESCCc1cnc(CCN/C(=N/C)NCCn2ccnc2)s1
InChIInChI=1S/C14H22N6S/c1-3-12-10-19-13(21-12)4-5-17-14(15-2)18-7-9-20-8-6-16-11-20/h6,8,10-11H,3-5,7,9H2,1-2H3,(H2,15,17,18)
InChIKeyHWNHVEMYNURDHE-UHFFFAOYSA-N
XLogP1.31
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 51.31
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-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111512833
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine
CID 111531595
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111510323
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111532070
5-ethyl-2-(imidazol-1-ylmethyl)-1,3-thiazole
CID 130847397
1-[3-(benzimidazol-1-yl)propyl]-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine
CID 111531039
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine
CID 111531371
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine
CID 111533679
3-[[N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111532358
1-[2-(2,6-difluorophenyl)ethyl]-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111532980
N-[4-[2-[[N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111533666
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine;hydroiodide
CID 111532098

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine?
The IUPAC name of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine (CID 111531465) is 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine.
What is the SMILES notation for 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine?
The canonical SMILES for 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine is CCc1cnc(CCN/C(=N/C)NCCn2ccnc2)s1.
What is the InChIKey of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine?
The InChIKey is HWNHVEMYNURDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6S/c1-3-12-10-19-13(21-12)4-5-17-14(15-2)18-7-9-20-8-6-16-11-20/h6,8,10-11H,3-5,7,9H2,1-2H3,(H2,15,17,18).
What are the key properties of 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine?
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine has a molecular weight of 306.44 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine is sourced from PubChem (CID 111531465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).