5-N-ethyl-5-N-(2-methoxyethyl)-4-phenyl-1,2-thiazole-3,5-diamine

C14H19N3OS — CID 103380461

IUPAC5-N-ethyl-5-N-(2-methoxyethyl)-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCCN(CCOC)c1snc(N)c1-c1ccccc1
InChIInChI=1S/C14H19N3OS/c1-3-17(9-10-18-2)14-12(13(15)16-19-14)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H2,15,16)
InChIKeyFGTDYIOMWKQQNI-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.87
Rot. Bonds6

About 5-N-ethyl-5-N-(2-methoxyethyl)-4-phenyl-1,2-thiazole-3,5-diamine

5-N-ethyl-5-N-(2-methoxyethyl)-4-phenyl-1,2-thiazole-3,5-diamine (PubChem CID 103380461) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-N-ethyl-5-N-(2-methoxyethyl)-4-phenyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-5-N-(2-methoxyethyl)-4-phenyl-1,2-thiazole-3,5-diamine
PubChem CID103380461
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-N-ethyl-5-N-(2-methoxyethyl)-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCCN(CCOC)c1snc(N)c1-c1ccccc1
InChIInChI=1S/C14H19N3OS/c1-3-17(9-10-18-2)14-12(13(15)16-19-14)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H2,15,16)
InChIKeyFGTDYIOMWKQQNI-UHFFFAOYSA-N
XLogP2.87
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-5-N-(2-methoxyethyl)-4-phenyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-ethyl-5-N-(2-methoxyethyl)-4-phenyl-1,2-thiazole-3,5-diamine (CID 103380461) is 5-N-ethyl-5-N-(2-methoxyethyl)-4-phenyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-ethyl-5-N-(2-methoxyethyl)-4-phenyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-ethyl-5-N-(2-methoxyethyl)-4-phenyl-1,2-thiazole-3,5-diamine is CCN(CCOC)c1snc(N)c1-c1ccccc1.
What is the InChIKey of 5-N-ethyl-5-N-(2-methoxyethyl)-4-phenyl-1,2-thiazole-3,5-diamine?
The InChIKey is FGTDYIOMWKQQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-17(9-10-18-2)14-12(13(15)16-19-14)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H2,15,16).
What are the key properties of 5-N-ethyl-5-N-(2-methoxyethyl)-4-phenyl-1,2-thiazole-3,5-diamine?
5-N-ethyl-5-N-(2-methoxyethyl)-4-phenyl-1,2-thiazole-3,5-diamine has a molecular weight of 277.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-5-N-(2-methoxyethyl)-4-phenyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103380461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).