1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3-dimethylguanidine

C11H20N4S — CID 86777199

IUPAC1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3-dimethylguanidine
SMILESCCc1nc(CCN/C(=N/C)NC)sc1C
InChIInChI=1S/C11H20N4S/c1-5-9-8(2)16-10(15-9)6-7-14-11(12-3)13-4/h5-7H2,1-4H3,(H2,12,13,14)
InChIKeyXIYTZPGKSABKAV-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.35
Rot. Bonds4

About 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3-dimethylguanidine

1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3-dimethylguanidine (PubChem CID 86777199) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3-dimethylguanidine
PubChem CID86777199
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3-dimethylguanidine
SMILESCCc1nc(CCN/C(=N/C)NC)sc1C
InChIInChI=1S/C11H20N4S/c1-5-9-8(2)16-10(15-9)6-7-14-11(12-3)13-4/h5-7H2,1-4H3,(H2,12,13,14)
InChIKeyXIYTZPGKSABKAV-UHFFFAOYSA-N
XLogP1.35
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3-dimethylguanidine (CID 86777199) is 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3-dimethylguanidine is CCc1nc(CCN/C(=N/C)NC)sc1C.
What is the InChIKey of 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3-dimethylguanidine?
The InChIKey is XIYTZPGKSABKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-5-9-8(2)16-10(15-9)6-7-14-11(12-3)13-4/h5-7H2,1-4H3,(H2,12,13,14).
What are the key properties of 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3-dimethylguanidine?
1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3-dimethylguanidine has a molecular weight of 240.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3-dimethylguanidine is sourced from PubChem (CID 86777199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).