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

C8H12F3N3OS — CID 103360595

IUPAC4-ethoxy-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(C)CC(F)(F)F
InChIInChI=1S/C8H12F3N3OS/c1-3-15-5-6(12)13-16-7(5)14(2)4-8(9,10)11/h3-4H2,1-2H3,(H2,12,13)
InChIKeyNNBSKZFAUIJUNV-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.12
Rot. Bonds4

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

4-ethoxy-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360595) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is 4-ethoxy-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103360595
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC Name4-ethoxy-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(C)CC(F)(F)F
InChIInChI=1S/C8H12F3N3OS/c1-3-15-5-6(12)13-16-7(5)14(2)4-8(9,10)11/h3-4H2,1-2H3,(H2,12,13)
InChIKeyNNBSKZFAUIJUNV-UHFFFAOYSA-N
XLogP2.12
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103360595) is 4-ethoxy-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1N(C)CC(F)(F)F.
What is the InChIKey of 4-ethoxy-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is NNBSKZFAUIJUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c1-3-15-5-6(12)13-16-7(5)14(2)4-8(9,10)11/h3-4H2,1-2H3,(H2,12,13).
What are the key properties of 4-ethoxy-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 255.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).