1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1,2-dimethylguanidine

C20H30N4O2S — CID 111297395

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1,2-dimethylguanidine
SMILESCCc1nc(CCN/C(=N\C)N(C)Cc2ccc(OC)cc2OC)sc1C
InChIInChI=1S/C20H30N4O2S/c1-7-17-14(2)27-19(23-17)10-11-22-20(21-3)24(4)13-15-8-9-16(25-5)12-18(15)26-6/h8-9,12H,7,10-11,13H2,1-6H3,(H,21,22)
InChIKeyMQUDQVDEJTYUNI-UHFFFAOYSA-N
MW390.55 g/mol
LogP3.28
Rot. Bonds8

About 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1,2-dimethylguanidine

1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1,2-dimethylguanidine (PubChem CID 111297395) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1,2-dimethylguanidine
PubChem CID111297395
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1,2-dimethylguanidine
SMILESCCc1nc(CCN/C(=N\C)N(C)Cc2ccc(OC)cc2OC)sc1C
InChIInChI=1S/C20H30N4O2S/c1-7-17-14(2)27-19(23-17)10-11-22-20(21-3)24(4)13-15-8-9-16(25-5)12-18(15)26-6/h8-9,12H,7,10-11,13H2,1-6H3,(H,21,22)
InChIKeyMQUDQVDEJTYUNI-UHFFFAOYSA-N
XLogP3.28
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1,2-dimethylguanidine with MolForge

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

Launch Full Analysis

Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 111296350
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111297099
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1,2-dimethylguanidine
CID 111296769
1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-(2-methylsulfonylethyl)guanidine
CID 111296749
1-[(2,4-dimethoxyphenyl)methyl]-3-(2-ethoxyethyl)-1,2-dimethylguanidine;hydroiodide
CID 111296474
3-(3-butoxypropyl)-1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111296357
1-[(2,4-dimethoxyphenyl)methyl]-3-(3,3-dimethylbutyl)-1,2-dimethylguanidine;hydroiodide
CID 111296428
1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine
CID 111679950
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-fluorophenyl)ethyl]-1,2-dimethylguanidine
CID 111297477
1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 111296341
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 111296288
1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111182713

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1,2-dimethylguanidine?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1,2-dimethylguanidine (CID 111297395) is 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1,2-dimethylguanidine.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1,2-dimethylguanidine?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1,2-dimethylguanidine is CCc1nc(CCN/C(=N\C)N(C)Cc2ccc(OC)cc2OC)sc1C.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1,2-dimethylguanidine?
The InChIKey is MQUDQVDEJTYUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-7-17-14(2)27-19(23-17)10-11-22-20(21-3)24(4)13-15-8-9-16(25-5)12-18(15)26-6/h8-9,12H,7,10-11,13H2,1-6H3,(H,21,22).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1,2-dimethylguanidine?
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1,2-dimethylguanidine has a molecular weight of 390.55 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1,2-dimethylguanidine is sourced from PubChem (CID 111297395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).