[4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine

C7H12N2OS — CID 62445438

IUPAC[4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine
SMILESCCOCc1csc(CN)n1
InChIInChI=1S/C7H12N2OS/c1-2-10-4-6-5-11-7(3-8)9-6/h5H,2-4,8H2,1H3
InChIKeyHYFORYVHHFJJTD-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.14
Rot. Bonds4

About [4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine

[4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 62445438) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is [4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID62445438
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name[4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine
SMILESCCOCc1csc(CN)n1
InChIInChI=1S/C7H12N2OS/c1-2-10-4-6-5-11-7(3-8)9-6/h5H,2-4,8H2,1H3
InChIKeyHYFORYVHHFJJTD-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(ethoxymethyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
CID 120558488
[4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine
CID 55077570
[4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62443694
[4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62548421
(4-pentyl-1,3-thiazol-2-yl)methanamine
CID 69371976
[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-1,3-thiazol-2-yl]methanamine
CID 106598242
N-[[4-(1-ethoxypropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 103490551
[2-(aminomethyl)-1,3-thiazol-4-yl]methanethiol
CID 82502783
[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine
CID 82831486
[4-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]methanamine
CID 103175647
[4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62443830
[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine
CID 62452340

Frequently Asked Questions

What is the IUPAC name of [4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine (CID 62445438) is [4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine is CCOCc1csc(CN)n1.
What is the InChIKey of [4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is HYFORYVHHFJJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-2-10-4-6-5-11-7(3-8)9-6/h5H,2-4,8H2,1H3.
What are the key properties of [4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine?
[4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 172.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 62445438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).