3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine

C7H12N2OS — CID 66859952

IUPAC3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine
SMILES[H]/N=c1\sc(C)cn1CCOC
InChIInChI=1S/C7H12N2OS/c1-6-5-9(3-4-10-2)7(8)11-6/h5,8H,3-4H2,1-2H3/b8-7-
InChIKeyHNBLBWYMRUHWTB-FPLPWBNLSA-N
MW172.25 g/mol
LogP0.98
Rot. Bonds3

About 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine

3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine (PubChem CID 66859952) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine
PubChem CID66859952
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine
SMILES[H]/N=c1\sc(C)cn1CCOC
InChIInChI=1S/C7H12N2OS/c1-6-5-9(3-4-10-2)7(8)11-6/h5,8H,3-4H2,1-2H3/b8-7-
InChIKeyHNBLBWYMRUHWTB-FPLPWBNLSA-N
XLogP0.98
TPSA38.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine?
The IUPAC name of 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine (CID 66859952) is 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine is [H]/N=c1\sc(C)cn1CCOC.
What is the InChIKey of 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine?
The InChIKey is HNBLBWYMRUHWTB-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-6-5-9(3-4-10-2)7(8)11-6/h5,8H,3-4H2,1-2H3/b8-7-.
What are the key properties of 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine?
3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine has a molecular weight of 172.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 66859952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).