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

C14H15N3OS — CID 946068

IUPAC4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2c(C)[nH]c3ccc(OC)cc23)cs1
InChIInChI=1S/C14H15N3OS/c1-8-13(12-7-19-14(15-2)17-12)10-6-9(18-3)4-5-11(10)16-8/h4-7,16H,1-3H3,(H,15,17)
InChIKeyIGXJEIRLTFXBMP-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.65
Rot. Bonds3

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

4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 946068) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine
PubChem CID946068
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2c(C)[nH]c3ccc(OC)cc23)cs1
InChIInChI=1S/C14H15N3OS/c1-8-13(12-7-19-14(15-2)17-12)10-6-9(18-3)4-5-11(10)16-8/h4-7,16H,1-3H3,(H,15,17)
InChIKeyIGXJEIRLTFXBMP-UHFFFAOYSA-N
XLogP3.65
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine (CID 946068) is 4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2c(C)[nH]c3ccc(OC)cc23)cs1.
What is the InChIKey of 4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is IGXJEIRLTFXBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-8-13(12-7-19-14(15-2)17-12)10-6-9(18-3)4-5-11(10)16-8/h4-7,16H,1-3H3,(H,15,17).
What are the key properties of 4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine?
4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 273.36 g/mol, XLogP of 3.65, 3 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)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 946068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).