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

C6H10N2OS — CID 130655435

IUPAC1-(3-methoxy-1,2-thiazol-5-yl)-N-methylmethanamine
SMILESCNCc1cc(OC)ns1
InChIInChI=1S/C6H10N2OS/c1-7-4-5-3-6(9-2)8-10-5/h3,7H,4H2,1-2H3
InChIKeySXMZDCBDOYOISD-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.87
Rot. Bonds3

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

1-(3-methoxy-1,2-thiazol-5-yl)-N-methylmethanamine (PubChem CID 130655435) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 1-(3-methoxy-1,2-thiazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-methoxy-1,2-thiazol-5-yl)-N-methylmethanamine
PubChem CID130655435
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name1-(3-methoxy-1,2-thiazol-5-yl)-N-methylmethanamine
SMILESCNCc1cc(OC)ns1
InChIInChI=1S/C6H10N2OS/c1-7-4-5-3-6(9-2)8-10-5/h3,7H,4H2,1-2H3
InChIKeySXMZDCBDOYOISD-UHFFFAOYSA-N
XLogP0.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1,2-thiazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-methoxy-1,2-thiazol-5-yl)-N-methylmethanamine (CID 130655435) is 1-(3-methoxy-1,2-thiazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-methoxy-1,2-thiazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-methoxy-1,2-thiazol-5-yl)-N-methylmethanamine is CNCc1cc(OC)ns1.
What is the InChIKey of 1-(3-methoxy-1,2-thiazol-5-yl)-N-methylmethanamine?
The InChIKey is SXMZDCBDOYOISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-7-4-5-3-6(9-2)8-10-5/h3,7H,4H2,1-2H3.
What are the key properties of 1-(3-methoxy-1,2-thiazol-5-yl)-N-methylmethanamine?
1-(3-methoxy-1,2-thiazol-5-yl)-N-methylmethanamine has a molecular weight of 158.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1,2-thiazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 130655435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).