2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]guanidine

C12H14N4S — CID 2741258

IUPAC2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]guanidine
SMILESCc1ccc(-c2csc(N=C(N)N)n2)c(C)c1
InChIInChI=1S/C12H14N4S/c1-7-3-4-9(8(2)5-7)10-6-17-12(15-10)16-11(13)14/h3-6H,1-2H3,(H4,13,14,15,16)
InChIKeyAIDRHYDXCFOZGK-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.33
Rot. Bonds2

About 2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]guanidine

2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]guanidine (PubChem CID 2741258) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]guanidine
PubChem CID2741258
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]guanidine
SMILESCc1ccc(-c2csc(N=C(N)N)n2)c(C)c1
InChIInChI=1S/C12H14N4S/c1-7-3-4-9(8(2)5-7)10-6-17-12(15-10)16-11(13)14/h3-6H,1-2H3,(H4,13,14,15,16)
InChIKeyAIDRHYDXCFOZGK-UHFFFAOYSA-N
XLogP2.33
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.33
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 2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]guanidine (CID 2741258) is 2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]guanidine is Cc1ccc(-c2csc(N=C(N)N)n2)c(C)c1.
What is the InChIKey of 2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is AIDRHYDXCFOZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-7-3-4-9(8(2)5-7)10-6-17-12(15-10)16-11(13)14/h3-6H,1-2H3,(H4,13,14,15,16).
What are the key properties of 2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]guanidine?
2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 246.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 2741258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).