1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine

C7H12N2S — CID 50987848

IUPAC1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine
SMILESCCc1ncc(CNC)s1
InChIInChI=1S/C7H12N2S/c1-3-7-9-5-6(10-7)4-8-2/h5,8H,3-4H2,1-2H3
InChIKeyCSZFIJNBBMUGDN-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.42
Rot. Bonds3

About 1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine

1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine (PubChem CID 50987848) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine
PubChem CID50987848
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine
SMILESCCc1ncc(CNC)s1
InChIInChI=1S/C7H12N2S/c1-3-7-9-5-6(10-7)4-8-2/h5,8H,3-4H2,1-2H3
InChIKeyCSZFIJNBBMUGDN-UHFFFAOYSA-N
XLogP1.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine (CID 50987848) is 1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine is CCc1ncc(CNC)s1.
What is the InChIKey of 1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine?
The InChIKey is CSZFIJNBBMUGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-3-7-9-5-6(10-7)4-8-2/h5,8H,3-4H2,1-2H3.
What are the key properties of 1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine?
1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine has a molecular weight of 156.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,3-thiazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 50987848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).