4-[1-(2-methoxyethyl)indol-3-yl]-1,3-thiazol-2-amine

C14H15N3OS — CID 6486620

IUPAC4-[1-(2-methoxyethyl)indol-3-yl]-1,3-thiazol-2-amine
SMILESCOCCn1cc(-c2csc(N)n2)c2ccccc21
InChIInChI=1S/C14H15N3OS/c1-18-7-6-17-8-11(12-9-19-14(15)16-12)10-4-2-3-5-13(10)17/h2-5,8-9H,6-7H2,1H3,(H2,15,16)
InChIKeyXBLKSMYBVUOZIB-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.99
Rot. Bonds4

About 4-[1-(2-methoxyethyl)indol-3-yl]-1,3-thiazol-2-amine

4-[1-(2-methoxyethyl)indol-3-yl]-1,3-thiazol-2-amine (PubChem CID 6486620) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)indol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)indol-3-yl]-1,3-thiazol-2-amine
PubChem CID6486620
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name4-[1-(2-methoxyethyl)indol-3-yl]-1,3-thiazol-2-amine
SMILESCOCCn1cc(-c2csc(N)n2)c2ccccc21
InChIInChI=1S/C14H15N3OS/c1-18-7-6-17-8-11(12-9-19-14(15)16-12)10-4-2-3-5-13(10)17/h2-5,8-9H,6-7H2,1H3,(H2,15,16)
InChIKeyXBLKSMYBVUOZIB-UHFFFAOYSA-N
XLogP2.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)indol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(2-methoxyethyl)indol-3-yl]-1,3-thiazol-2-amine (CID 6486620) is 4-[1-(2-methoxyethyl)indol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(2-methoxyethyl)indol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(2-methoxyethyl)indol-3-yl]-1,3-thiazol-2-amine is COCCn1cc(-c2csc(N)n2)c2ccccc21.
What is the InChIKey of 4-[1-(2-methoxyethyl)indol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is XBLKSMYBVUOZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-18-7-6-17-8-11(12-9-19-14(15)16-12)10-4-2-3-5-13(10)17/h2-5,8-9H,6-7H2,1H3,(H2,15,16).
What are the key properties of 4-[1-(2-methoxyethyl)indol-3-yl]-1,3-thiazol-2-amine?
4-[1-(2-methoxyethyl)indol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 273.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethyl)indol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 6486620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).