2-benzyl-1-[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]guanidine

C20H19N5OS — CID 15729239

IUPAC2-benzyl-1-[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]guanidine
SMILESCOc1ccc2[nH]cc(-c3csc(N/C(N)=N/Cc4ccccc4)n3)c2c1
InChIInChI=1S/C20H19N5OS/c1-26-14-7-8-17-15(9-14)16(11-22-17)18-12-27-20(24-18)25-19(21)23-10-13-5-3-2-4-6-13/h2-9,11-12,22H,10H2,1H3,(H3,21,23,24,25)
InChIKeyLPTJHULEFLNLSG-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.23
Rot. Bonds5

About 2-benzyl-1-[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]guanidine

2-benzyl-1-[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]guanidine (PubChem CID 15729239) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-benzyl-1-[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-benzyl-1-[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]guanidine
PubChem CID15729239
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name2-benzyl-1-[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]guanidine
SMILESCOc1ccc2[nH]cc(-c3csc(N/C(N)=N/Cc4ccccc4)n3)c2c1
InChIInChI=1S/C20H19N5OS/c1-26-14-7-8-17-15(9-14)16(11-22-17)18-12-27-20(24-18)25-19(21)23-10-13-5-3-2-4-6-13/h2-9,11-12,22H,10H2,1H3,(H3,21,23,24,25)
InChIKeyLPTJHULEFLNLSG-UHFFFAOYSA-N
XLogP4.23
TPSA88.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-benzyl-1-[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-benzyl-1-[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]guanidine (CID 15729239) is 2-benzyl-1-[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-benzyl-1-[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-benzyl-1-[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]guanidine is COc1ccc2[nH]cc(-c3csc(N/C(N)=N/Cc4ccccc4)n3)c2c1.
What is the InChIKey of 2-benzyl-1-[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is LPTJHULEFLNLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-26-14-7-8-17-15(9-14)16(11-22-17)18-12-27-20(24-18)25-19(21)23-10-13-5-3-2-4-6-13/h2-9,11-12,22H,10H2,1H3,(H3,21,23,24,25).
What are the key properties of 2-benzyl-1-[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]guanidine?
2-benzyl-1-[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 377.47 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 15729239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).