4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine

C13H16FN3OS — CID 103361504

IUPAC4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(C)Cc1ccccc1F
InChIInChI=1S/C13H16FN3OS/c1-3-18-11-12(15)16-19-13(11)17(2)8-9-6-4-5-7-10(9)14/h4-7H,3,8H2,1-2H3,(H2,15,16)
InChIKeyZMHKMCUOVNAMQQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.90
Rot. Bonds5

About 4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103361504) has the molecular formula C13H16FN3OS and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
PubChem CID103361504
Molecular FormulaC13H16FN3OS
Molecular Weight281.36 g/mol
Exact Mass281.10
IUPAC Name4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(C)Cc1ccccc1F
InChIInChI=1S/C13H16FN3OS/c1-3-18-11-12(15)16-19-13(11)17(2)8-9-6-4-5-7-10(9)14/h4-7H,3,8H2,1-2H3,(H2,15,16)
InChIKeyZMHKMCUOVNAMQQ-UHFFFAOYSA-N
XLogP2.90
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103360798
5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362406
2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63672171
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide
CID 103361605
4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103361278
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol
CID 103365425
N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171701097
2-ethyl-4-N-[(2-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80987779
2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80794162
4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine
CID 103364258
3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine
CID 39247780
4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine
CID 62141923

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine (CID 103361504) is 4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1N(C)Cc1ccccc1F.
What is the InChIKey of 4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is ZMHKMCUOVNAMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3OS/c1-3-18-11-12(15)16-19-13(11)17(2)8-9-6-4-5-7-10(9)14/h4-7H,3,8H2,1-2H3,(H2,15,16).
What are the key properties of 4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 281.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).