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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Related Compounds

5-N,5-N-bis(2-methoxyethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103361733
5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103360759
5-N-[2-(dimethylamino)ethyl]-4-phenyl-5-N-propyl-1,2-thiazole-3,5-diamine
CID 103380430
5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine
CID 107403288
4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103379725
5-N-ethyl-5-N-(2-methoxyethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103361471
5-N,5-N-diethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103362105
5-N-[2-(dimethylamino)ethyl]-5-N-methyl-4-phenyl-1,2-thiazole-3,5-diamine
CID 103381922
5-N-methyl-5-N-(2-methylbutan-2-yl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103381999
5-N-pentyl-4-phenyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
CID 103380451
3-amino-5-[ethyl(2-methoxyethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380467
5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360705

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).