5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine

C8H13F2N3OS — CID 103365691

IUPAC5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(C)CC(F)F
InChIInChI=1S/C8H13F2N3OS/c1-3-14-6-7(11)12-15-8(6)13(2)4-5(9)10/h5H,3-4H2,1-2H3,(H2,11,12)
InChIKeyKHDSWGIOAJOOBX-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.83
Rot. Bonds5

About 5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine

5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103365691) has the molecular formula C8H13F2N3OS and a molecular weight of 237.27 g/mol. Its IUPAC name is 5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
PubChem CID103365691
Molecular FormulaC8H13F2N3OS
Molecular Weight237.27 g/mol
Exact Mass237.07
IUPAC Name5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(C)CC(F)F
InChIInChI=1S/C8H13F2N3OS/c1-3-14-6-7(11)12-15-8(6)13(2)4-5(9)10/h5H,3-4H2,1-2H3,(H2,11,12)
InChIKeyKHDSWGIOAJOOBX-UHFFFAOYSA-N
XLogP1.83
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol
CID 103360625
5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362406
4-ethoxy-5-N-(2-ethoxyethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103364467
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol
CID 103365425
5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362232
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide
CID 103361605
4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361504
4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103362242
5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103360798
5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine
CID 103366005
5-N-(2-ethoxyethyl)-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103383373
5-N-(2-methoxyethyl)-5-N-methyl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361756

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine (CID 103365691) is 5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1N(C)CC(F)F.
What is the InChIKey of 5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is KHDSWGIOAJOOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3OS/c1-3-14-6-7(11)12-15-8(6)13(2)4-5(9)10/h5H,3-4H2,1-2H3,(H2,11,12).
What are the key properties of 5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 237.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).