5-N-(2-methoxyethyl)-5-N-methyl-1,3-thiazole-2,5-diamine

C7H13N3OS — CID 59301381

IUPAC5-N-(2-methoxyethyl)-5-N-methyl-1,3-thiazole-2,5-diamine
SMILESCOCCN(C)c1cnc(N)s1
InChIInChI=1S/C7H13N3OS/c1-10(3-4-11-2)6-5-9-7(8)12-6/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyUEMOOIOFYXVASY-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.81
Rot. Bonds4

About 5-N-(2-methoxyethyl)-5-N-methyl-1,3-thiazole-2,5-diamine

5-N-(2-methoxyethyl)-5-N-methyl-1,3-thiazole-2,5-diamine (PubChem CID 59301381) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 5-N-(2-methoxyethyl)-5-N-methyl-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxyethyl)-5-N-methyl-1,3-thiazole-2,5-diamine
PubChem CID59301381
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name5-N-(2-methoxyethyl)-5-N-methyl-1,3-thiazole-2,5-diamine
SMILESCOCCN(C)c1cnc(N)s1
InChIInChI=1S/C7H13N3OS/c1-10(3-4-11-2)6-5-9-7(8)12-6/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyUEMOOIOFYXVASY-UHFFFAOYSA-N
XLogP0.81
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxyethyl)-5-N-methyl-1,3-thiazole-2,5-diamine?
The IUPAC name of 5-N-(2-methoxyethyl)-5-N-methyl-1,3-thiazole-2,5-diamine (CID 59301381) is 5-N-(2-methoxyethyl)-5-N-methyl-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 5-N-(2-methoxyethyl)-5-N-methyl-1,3-thiazole-2,5-diamine?
The canonical SMILES for 5-N-(2-methoxyethyl)-5-N-methyl-1,3-thiazole-2,5-diamine is COCCN(C)c1cnc(N)s1.
What is the InChIKey of 5-N-(2-methoxyethyl)-5-N-methyl-1,3-thiazole-2,5-diamine?
The InChIKey is UEMOOIOFYXVASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-10(3-4-11-2)6-5-9-7(8)12-6/h5H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 5-N-(2-methoxyethyl)-5-N-methyl-1,3-thiazole-2,5-diamine?
5-N-(2-methoxyethyl)-5-N-methyl-1,3-thiazole-2,5-diamine has a molecular weight of 187.27 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxyethyl)-5-N-methyl-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 59301381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).