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

C20H22N4O2S — CID 10339876

IUPAC1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-ethylguanidine
SMILESCC/N=C(\N)Nc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C20H22N4O2S/c1-4-22-19(21)24-20-23-17(13-5-9-15(25-2)10-6-13)18(27-20)14-7-11-16(26-3)12-8-14/h5-12H,4H2,1-3H3,(H3,21,22,23,24)
InChIKeyLRBSKQKIUNQPPY-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.24
Rot. Bonds6

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

1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-ethylguanidine (PubChem CID 10339876) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-ethylguanidine.

Molecular Properties

Compound Name1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-ethylguanidine
PubChem CID10339876
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-ethylguanidine
SMILESCC/N=C(\N)Nc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C20H22N4O2S/c1-4-22-19(21)24-20-23-17(13-5-9-15(25-2)10-6-13)18(27-20)14-7-11-16(26-3)12-8-14/h5-12H,4H2,1-3H3,(H3,21,22,23,24)
InChIKeyLRBSKQKIUNQPPY-UHFFFAOYSA-N
XLogP4.24
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.24
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 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-ethylguanidine?
The IUPAC name of 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-ethylguanidine (CID 10339876) is 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-ethylguanidine.
What is the SMILES notation for 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-ethylguanidine?
The canonical SMILES for 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-ethylguanidine is CC/N=C(\N)Nc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1.
What is the InChIKey of 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-ethylguanidine?
The InChIKey is LRBSKQKIUNQPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-4-22-19(21)24-20-23-17(13-5-9-15(25-2)10-6-13)18(27-20)14-7-11-16(26-3)12-8-14/h5-12H,4H2,1-3H3,(H3,21,22,23,24).
What are the key properties of 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-ethylguanidine?
1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-ethylguanidine has a molecular weight of 382.49 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-ethylguanidine is sourced from PubChem (CID 10339876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).