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

C7H13N3OS — CID 67536923

IUPAC2-N-(2-methoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine
SMILESCOCCN(C)c1ncc(N)s1
InChIInChI=1S/C7H13N3OS/c1-10(3-4-11-2)7-9-5-6(8)12-7/h5H,3-4,8H2,1-2H3
InChIKeyKEALVMXQWWXYPC-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.81
Rot. Bonds4

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

2-N-(2-methoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine (PubChem CID 67536923) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine
PubChem CID67536923
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-N-(2-methoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine
SMILESCOCCN(C)c1ncc(N)s1
InChIInChI=1S/C7H13N3OS/c1-10(3-4-11-2)7-9-5-6(8)12-7/h5H,3-4,8H2,1-2H3
InChIKeyKEALVMXQWWXYPC-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 2-N-(2-methoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine (CID 67536923) is 2-N-(2-methoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine is COCCN(C)c1ncc(N)s1.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine?
The InChIKey is KEALVMXQWWXYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-10(3-4-11-2)7-9-5-6(8)12-7/h5H,3-4,8H2,1-2H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine?
2-N-(2-methoxyethyl)-2-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 2-N-(2-methoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 67536923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).