2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine

C18H18N4O2S — CID 10021026

IUPAC2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
SMILESCOc1ccc(-c2nc(N=C(N)N)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18N4O2S/c1-23-13-7-3-11(4-8-13)15-16(25-18(21-15)22-17(19)20)12-5-9-14(24-2)10-6-12/h3-10H,1-2H3,(H4,19,20,21,22)
InChIKeyZVQONCZHRHBOTL-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.40
Rot. Bonds5

About 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine

2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine (PubChem CID 10021026) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
PubChem CID10021026
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
SMILESCOc1ccc(-c2nc(N=C(N)N)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18N4O2S/c1-23-13-7-3-11(4-8-13)15-16(25-18(21-15)22-17(19)20)12-5-9-14(24-2)10-6-12/h3-10H,1-2H3,(H4,19,20,21,22)
InChIKeyZVQONCZHRHBOTL-UHFFFAOYSA-N
XLogP3.40
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine (CID 10021026) is 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine is COc1ccc(-c2nc(N=C(N)N)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is ZVQONCZHRHBOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-23-13-7-3-11(4-8-13)15-16(25-18(21-15)22-17(19)20)12-5-9-14(24-2)10-6-12/h3-10H,1-2H3,(H4,19,20,21,22).
What are the key properties of 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine?
2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 354.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 10021026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).