3-methoxy-1-(1,2-thiazol-3-yl)propan-1-amine

C7H12N2OS — CID 131206607

IUPAC3-methoxy-1-(1,2-thiazol-3-yl)propan-1-amine
SMILESCOCCC(N)c1ccsn1
InChIInChI=1S/C7H12N2OS/c1-10-4-2-6(8)7-3-5-11-9-7/h3,5-6H,2,4,8H2,1H3
InChIKeyNYXZYUGPHCSAHJ-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.18
Rot. Bonds4

About 3-methoxy-1-(1,2-thiazol-3-yl)propan-1-amine

3-methoxy-1-(1,2-thiazol-3-yl)propan-1-amine (PubChem CID 131206607) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-methoxy-1-(1,2-thiazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-(1,2-thiazol-3-yl)propan-1-amine
PubChem CID131206607
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-methoxy-1-(1,2-thiazol-3-yl)propan-1-amine
SMILESCOCCC(N)c1ccsn1
InChIInChI=1S/C7H12N2OS/c1-10-4-2-6(8)7-3-5-11-9-7/h3,5-6H,2,4,8H2,1H3
InChIKeyNYXZYUGPHCSAHJ-UHFFFAOYSA-N
XLogP1.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-Thiazol-3-yl)propan-1-amine
CID 67337543
1-(1,2-Thiazol-3-yl)propan-2-amine
CID 69349673
1-(1,2-Thiazol-3-yl)ethanamine
CID 82593748
(1S)-3-methylsulfanyl-1-(1,2-thiazol-3-yl)propan-1-amine
CID 82404854
(1S)-2-methyl-1-(1,2-thiazol-3-yl)propan-1-amine
CID 82416060
1-(1,2-Thiazol-3-yl)butan-1-amine
CID 82416061
(1S)-1-(1,2-thiazol-3-yl)ethanamine
CID 82418739
2-(Oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine
CID 127002582
1-(1,2-Thiazol-3-yl)but-3-en-1-amine
CID 130632089
Oxolan-3-yl(1,2-thiazol-3-yl)methanamine
CID 130664721
Oxan-2-yl(1,2-thiazol-3-yl)methanamine
CID 130665539
(5-Methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine
CID 130678046

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(1,2-thiazol-3-yl)propan-1-amine?
The IUPAC name of 3-methoxy-1-(1,2-thiazol-3-yl)propan-1-amine (CID 131206607) is 3-methoxy-1-(1,2-thiazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-1-(1,2-thiazol-3-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-1-(1,2-thiazol-3-yl)propan-1-amine is COCCC(N)c1ccsn1.
What is the InChIKey of 3-methoxy-1-(1,2-thiazol-3-yl)propan-1-amine?
The InChIKey is NYXZYUGPHCSAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-10-4-2-6(8)7-3-5-11-9-7/h3,5-6H,2,4,8H2,1H3.
What are the key properties of 3-methoxy-1-(1,2-thiazol-3-yl)propan-1-amine?
3-methoxy-1-(1,2-thiazol-3-yl)propan-1-amine has a molecular weight of 172.25 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(1,2-thiazol-3-yl)propan-1-amine is sourced from PubChem (CID 131206607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).