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

C7H12N2OS — CID 82707055

IUPACN-methoxy-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCONC(C)c1csc(C)n1
InChIInChI=1S/C7H12N2OS/c1-5(9-10-3)7-4-11-6(2)8-7/h4-5,9H,1-3H3
InChIKeySJHQWTVXXDOONU-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.66
Rot. Bonds3

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

N-methoxy-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 82707055) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is N-methoxy-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methoxy-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID82707055
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC NameN-methoxy-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCONC(C)c1csc(C)n1
InChIInChI=1S/C7H12N2OS/c1-5(9-10-3)7-4-11-6(2)8-7/h4-5,9H,1-3H3
InChIKeySJHQWTVXXDOONU-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 4558721
1-(2-Methyl-1,3-thiazol-4-yl)ethan-1-amine
CID 18184162
1-(1,3-Thiazol-4-yl)ethan-1-amine
CID 18612358
alpha-Methyl-2-(1-methylethyl)-4-thiazolemethanamine
CID 21667605
(4-Ethyl-1,3-thiazol-2-yl)methanamine
CID 24261648
1-(2-Ethyl-1,3-thiazol-4-yl)ethan-1-amine
CID 45121661
1-(2-Methyl-1,3-thiazol-4-yl)ethane-1,2-diamine dihydrochloride
CID 71758438
(2-Methylthiazol-4-yl)MethanaMine
CID 18467479
1-[2-(Propan-2-yl)-1,3-thiazol-4-yl]ethan-1-amine dihydrochloride
CID 21667704
3-(4-Ethyl-1,3-thiazol-2-yl)propan-1-amine
CID 24261848
1-(2-Methyl-1,3-Thiazol-4-Yl)Ethanamine Dihydrochloride
CID 45595357
1-(4-Ethyl-1,3-thiazol-2-yl)ethan-1-amine dihydrochloride
CID 121553164

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-methoxy-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 82707055) is N-methoxy-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-methoxy-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-methoxy-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is CONC(C)c1csc(C)n1.
What is the InChIKey of N-methoxy-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is SJHQWTVXXDOONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5(9-10-3)7-4-11-6(2)8-7/h4-5,9H,1-3H3.
What are the key properties of N-methoxy-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
N-methoxy-1-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 172.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 82707055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).