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

C20H22N4O2S — CID 10429998

IUPAC1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)Nc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C20H22N4O2S/c1-21-19(22-2)24-20-23-17(13-5-9-15(25-3)10-6-13)18(27-20)14-7-11-16(26-4)12-8-14/h5-12H,1-4H3,(H2,21,22,23,24)
InChIKeyRTQNJXIWXIWJQK-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.11
Rot. Bonds5

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

1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylguanidine (PubChem CID 10429998) 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]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylguanidine
PubChem CID10429998
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)Nc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C20H22N4O2S/c1-21-19(22-2)24-20-23-17(13-5-9-15(25-3)10-6-13)18(27-20)14-7-11-16(26-4)12-8-14/h5-12H,1-4H3,(H2,21,22,23,24)
InChIKeyRTQNJXIWXIWJQK-UHFFFAOYSA-N
XLogP4.11
TPSA67.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.11
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]-2,3-dimethylguanidine?
The IUPAC name of 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylguanidine (CID 10429998) is 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylguanidine is C/N=C(\NC)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]-2,3-dimethylguanidine?
The InChIKey is RTQNJXIWXIWJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-21-19(22-2)24-20-23-17(13-5-9-15(25-3)10-6-13)18(27-20)14-7-11-16(26-4)12-8-14/h5-12H,1-4H3,(H2,21,22,23,24).
What are the key properties of 1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylguanidine?
1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylguanidine has a molecular weight of 382.49 g/mol, XLogP of 4.11, 5 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]-2,3-dimethylguanidine is sourced from PubChem (CID 10429998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).