2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine

C7H12N2OS — CID 82411798

IUPAC2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCOCC(N)c1scnc1C
InChIInChI=1S/C7H12N2OS/c1-5-7(11-4-9-5)6(8)3-10-2/h4,6H,3,8H2,1-2H3
InChIKeyQRCRXMBOORZOOK-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.10
Rot. Bonds3

About 2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine

2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 82411798) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID82411798
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCOCC(N)c1scnc1C
InChIInChI=1S/C7H12N2OS/c1-5-7(11-4-9-5)6(8)3-10-2/h4,6H,3,8H2,1-2H3
InChIKeyQRCRXMBOORZOOK-UHFFFAOYSA-N
XLogP1.10
TPSA48.14 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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 82416051
1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine
CID 105084585
1-(4-methyl-1,3-thiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177899
2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105135057
2-cyclopentyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105138914
1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 115897163
2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 105168486
4-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 105112960
1-(4-methyl-1,3-thiazol-5-yl)-2-quinolin-2-ylethanamine
CID 105159187
3-(1-methylimidazol-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 105187648
4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 105190197
(1R)-1-(3-chlorothiophen-2-yl)-2-methoxyethanamine
CID 130987016

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 82411798) is 2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine is COCC(N)c1scnc1C.
What is the InChIKey of 2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is QRCRXMBOORZOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5-7(11-4-9-5)6(8)3-10-2/h4,6H,3,8H2,1-2H3.
What are the key properties of 2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 172.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 82411798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).