4-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine

C16H19N3OS — CID 4826888

IUPAC4-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCCc1cccc2c(-c3csc(NCCOC)n3)c[nH]c12
InChIInChI=1S/C16H19N3OS/c1-3-11-5-4-6-12-13(9-18-15(11)12)14-10-21-16(19-14)17-7-8-20-2/h4-6,9-10,18H,3,7-8H2,1-2H3,(H,17,19)
InChIKeyDBCHIJGLXLMNRL-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.91
Rot. Bonds6

About 4-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine

4-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine (PubChem CID 4826888) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 4-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
PubChem CID4826888
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name4-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCCc1cccc2c(-c3csc(NCCOC)n3)c[nH]c12
InChIInChI=1S/C16H19N3OS/c1-3-11-5-4-6-12-13(9-18-15(11)12)14-10-21-16(19-14)17-7-8-20-2/h4-6,9-10,18H,3,7-8H2,1-2H3,(H,17,19)
InChIKeyDBCHIJGLXLMNRL-UHFFFAOYSA-N
XLogP3.91
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Indole, 3-(N-2-thiazolylformimidoyl)-
CID 135403056
N-(4-tert-butylthiazol-2-yl)-1H-indol-4-amine
CID 21866574
1-[2-(1H-Indol-3-yl)-ethyl]-3-thiazol-2-yl-thiourea
CID 9857574
4-(1H-indol-3-yl)-1,3-thiazol-2-amine
CID 804966
N-[4-(1H-Indol-3-yl)-thiazol-2-ylmethyl]-guanidine
CID 15636963
4-(1H-indol-3-ylmethyl)-1,3-thiazole
CID 11528610
4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole
CID 11673059
4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 2118298
2-[(2-methyl-1H-indol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2153530
2-(2-hydroxyethylsulfanyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 2462270
4-[1-(2-Methoxy-ethyl)-1H-indol-3-yl]-thiazol-2-ylamine
CID 6486620
4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 8902468

Frequently Asked Questions

What is the IUPAC name of 4-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine (CID 4826888) is 4-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine is CCc1cccc2c(-c3csc(NCCOC)n3)c[nH]c12.
What is the InChIKey of 4-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The InChIKey is DBCHIJGLXLMNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-3-11-5-4-6-12-13(9-18-15(11)12)14-10-21-16(19-14)17-7-8-20-2/h4-6,9-10,18H,3,7-8H2,1-2H3,(H,17,19).
What are the key properties of 4-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
4-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine has a molecular weight of 301.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4826888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).