1,1,3,3-tetramethyl-2-(5-methyl-1,3-thiazol-2-yl)guanidine

C9H16N4S — CID 86087507

IUPAC1,1,3,3-tetramethyl-2-(5-methyl-1,3-thiazol-2-yl)guanidine
SMILESCc1cnc(N=C(N(C)C)N(C)C)s1
InChIInChI=1S/C9H16N4S/c1-7-6-10-8(14-7)11-9(12(2)3)13(4)5/h6H,1-5H3
InChIKeyZZYXIJCZRYPJHB-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.56
Rot. Bonds1

About 1,1,3,3-tetramethyl-2-(5-methyl-1,3-thiazol-2-yl)guanidine

1,1,3,3-tetramethyl-2-(5-methyl-1,3-thiazol-2-yl)guanidine (PubChem CID 86087507) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-(5-methyl-1,3-thiazol-2-yl)guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-(5-methyl-1,3-thiazol-2-yl)guanidine
PubChem CID86087507
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name1,1,3,3-tetramethyl-2-(5-methyl-1,3-thiazol-2-yl)guanidine
SMILESCc1cnc(N=C(N(C)C)N(C)C)s1
InChIInChI=1S/C9H16N4S/c1-7-6-10-8(14-7)11-9(12(2)3)13(4)5/h6H,1-5H3
InChIKeyZZYXIJCZRYPJHB-UHFFFAOYSA-N
XLogP1.56
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1,3,3-tetramethyl-2-(5-methyl-1,3-thiazol-2-yl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-(5-methyl-1,3-thiazol-2-yl)guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-(5-methyl-1,3-thiazol-2-yl)guanidine (CID 86087507) is 1,1,3,3-tetramethyl-2-(5-methyl-1,3-thiazol-2-yl)guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-(5-methyl-1,3-thiazol-2-yl)guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-(5-methyl-1,3-thiazol-2-yl)guanidine is Cc1cnc(N=C(N(C)C)N(C)C)s1.
What is the InChIKey of 1,1,3,3-tetramethyl-2-(5-methyl-1,3-thiazol-2-yl)guanidine?
The InChIKey is ZZYXIJCZRYPJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7-6-10-8(14-7)11-9(12(2)3)13(4)5/h6H,1-5H3.
What are the key properties of 1,1,3,3-tetramethyl-2-(5-methyl-1,3-thiazol-2-yl)guanidine?
1,1,3,3-tetramethyl-2-(5-methyl-1,3-thiazol-2-yl)guanidine has a molecular weight of 212.32 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-(5-methyl-1,3-thiazol-2-yl)guanidine is sourced from PubChem (CID 86087507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).