1,1-diethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine

C10H18N4S — CID 111821337

IUPAC1,1-diethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESCCN(CC)/C(N)=N/Cc1ncc(C)s1
InChIInChI=1S/C10H18N4S/c1-4-14(5-2)10(11)13-7-9-12-6-8(3)15-9/h6H,4-5,7H2,1-3H3,(H2,11,13)
InChIKeyFETJHUSIACFGOE-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.61
Rot. Bonds4

About 1,1-diethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine

1,1-diethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine (PubChem CID 111821337) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 1,1-diethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1,1-diethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
PubChem CID111821337
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name1,1-diethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESCCN(CC)/C(N)=N/Cc1ncc(C)s1
InChIInChI=1S/C10H18N4S/c1-4-14(5-2)10(11)13-7-9-12-6-8(3)15-9/h6H,4-5,7H2,1-3H3,(H2,11,13)
InChIKeyFETJHUSIACFGOE-UHFFFAOYSA-N
XLogP1.61
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
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 1,1-diethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The IUPAC name of 1,1-diethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine (CID 111821337) is 1,1-diethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine.
What is the SMILES notation for 1,1-diethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The canonical SMILES for 1,1-diethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine is CCN(CC)/C(N)=N/Cc1ncc(C)s1.
What is the InChIKey of 1,1-diethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The InChIKey is FETJHUSIACFGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-4-14(5-2)10(11)13-7-9-12-6-8(3)15-9/h6H,4-5,7H2,1-3H3,(H2,11,13).
What are the key properties of 1,1-diethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
1,1-diethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine has a molecular weight of 226.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine is sourced from PubChem (CID 111821337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).