1-(4-methoxy-1,3-thiazol-2-yl)-N-methylethanamine

C7H12N2OS — CID 130870623

IUPAC1-(4-methoxy-1,3-thiazol-2-yl)-N-methylethanamine
SMILESCNC(C)c1nc(OC)cs1
InChIInChI=1S/C7H12N2OS/c1-5(8-2)7-9-6(10-3)4-11-7/h4-5,8H,1-3H3
InChIKeyFPWDQMWHZIOJAU-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.43
Rot. Bonds3

About 1-(4-methoxy-1,3-thiazol-2-yl)-N-methylethanamine

1-(4-methoxy-1,3-thiazol-2-yl)-N-methylethanamine (PubChem CID 130870623) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-(4-methoxy-1,3-thiazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-methoxy-1,3-thiazol-2-yl)-N-methylethanamine
PubChem CID130870623
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name1-(4-methoxy-1,3-thiazol-2-yl)-N-methylethanamine
SMILESCNC(C)c1nc(OC)cs1
InChIInChI=1S/C7H12N2OS/c1-5(8-2)7-9-6(10-3)4-11-7/h4-5,8H,1-3H3
InChIKeyFPWDQMWHZIOJAU-UHFFFAOYSA-N
XLogP1.43
TPSA34.15 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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1,3-thiazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(4-methoxy-1,3-thiazol-2-yl)-N-methylethanamine (CID 130870623) is 1-(4-methoxy-1,3-thiazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-methoxy-1,3-thiazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-methoxy-1,3-thiazol-2-yl)-N-methylethanamine is CNC(C)c1nc(OC)cs1.
What is the InChIKey of 1-(4-methoxy-1,3-thiazol-2-yl)-N-methylethanamine?
The InChIKey is FPWDQMWHZIOJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5(8-2)7-9-6(10-3)4-11-7/h4-5,8H,1-3H3.
What are the key properties of 1-(4-methoxy-1,3-thiazol-2-yl)-N-methylethanamine?
1-(4-methoxy-1,3-thiazol-2-yl)-N-methylethanamine has a molecular weight of 172.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1,3-thiazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 130870623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).