N-methyl-2-(1,3-thiazol-2-yl)ethanamine

C6H10N2S — CID 10012009

IUPACN-methyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCNCCc1nccs1
InChIInChI=1S/C6H10N2S/c1-7-3-2-6-8-4-5-9-6/h4-5,7H,2-3H2,1H3
InChIKeyVGGZQRLVVAAFDK-UHFFFAOYSA-N
MW142.23 g/mol
LogP0.90
Rot. Bonds3

About N-methyl-2-(1,3-thiazol-2-yl)ethanamine

N-methyl-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 10012009) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is N-methyl-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID10012009
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC NameN-methyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCNCCc1nccs1
InChIInChI=1S/C6H10N2S/c1-7-3-2-6-8-4-5-9-6/h4-5,7H,2-3H2,1H3
InChIKeyVGGZQRLVVAAFDK-UHFFFAOYSA-N
XLogP0.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(1,3-thiazol-2-yl)ethanamine (CID 10012009) is N-methyl-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1,3-thiazol-2-yl)ethanamine is CNCCc1nccs1.
What is the InChIKey of N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is VGGZQRLVVAAFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-7-3-2-6-8-4-5-9-6/h4-5,7H,2-3H2,1H3.
What are the key properties of N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
N-methyl-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 142.23 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 10012009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).