4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine

C13H13N3OS — CID 804958

IUPAC4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc2[nH]c(C)c(-c3csc(N)n3)c2c1
InChIInChI=1S/C13H13N3OS/c1-7-12(11-6-18-13(14)16-11)9-5-8(17-2)3-4-10(9)15-7/h3-6,15H,1-2H3,(H2,14,16)
InChIKeyVKPPEJCJEVDLLQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.19
Rot. Bonds2

About 4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine

4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine (PubChem CID 804958) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
PubChem CID804958
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc2[nH]c(C)c(-c3csc(N)n3)c2c1
InChIInChI=1S/C13H13N3OS/c1-7-12(11-6-18-13(14)16-11)9-5-8(17-2)3-4-10(9)15-7/h3-6,15H,1-2H3,(H2,14,16)
InChIKeyVKPPEJCJEVDLLQ-UHFFFAOYSA-N
XLogP3.19
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine 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 4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine (CID 804958) is 4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine is COc1ccc2[nH]c(C)c(-c3csc(N)n3)c2c1.
What is the InChIKey of 4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is VKPPEJCJEVDLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-7-12(11-6-18-13(14)16-11)9-5-8(17-2)3-4-10(9)15-7/h3-6,15H,1-2H3,(H2,14,16).
What are the key properties of 4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 259.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 804958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).