5-(aminomethyl)-4-(methoxymethyl)-3H-1,3-thiazol-2-one

C6H10N2O2S — CID 114361603

IUPAC5-(aminomethyl)-4-(methoxymethyl)-3H-1,3-thiazol-2-one
SMILESCOCc1[nH]c(=O)sc1CN
InChIInChI=1S/C6H10N2O2S/c1-10-3-4-5(2-7)11-6(9)8-4/h2-3,7H2,1H3,(H,8,9)
InChIKeyRMMZTATVJWWLKN-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.04
Rot. Bonds3

About 5-(aminomethyl)-4-(methoxymethyl)-3H-1,3-thiazol-2-one

5-(aminomethyl)-4-(methoxymethyl)-3H-1,3-thiazol-2-one (PubChem CID 114361603) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(methoxymethyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-(methoxymethyl)-3H-1,3-thiazol-2-one
PubChem CID114361603
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name5-(aminomethyl)-4-(methoxymethyl)-3H-1,3-thiazol-2-one
SMILESCOCc1[nH]c(=O)sc1CN
InChIInChI=1S/C6H10N2O2S/c1-10-3-4-5(2-7)11-6(9)8-4/h2-3,7H2,1H3,(H,8,9)
InChIKeyRMMZTATVJWWLKN-UHFFFAOYSA-N
XLogP0.04
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-5-bromo-3H-1,3-thiazol-2-one
CID 83884226
4-(2-aminoethyl)-5-(methoxymethyl)-1,2-dihydropyrazol-3-one
CID 17390072
4-(2-aminoethyl)-5-bromo-3H-1,3-thiazol-2-one
CID 83891010
4-ethyl-5-methyl-3H-1,3-thiazol-2-one
CID 43286731
4-(aminomethyl)-6-(methoxymethyl)-1H-pyrimidin-2-one
CID 82412906
[4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine
CID 114361701
[2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361772
[2-chloro-5-(methoxymethyl)-4-methylthiophen-3-yl]methanamine
CID 114748619
[3-(methoxymethyl)-5,6-dimethyl-1-benzothiophen-2-yl]methanamine
CID 114378169
[2-cyclopropyl-5-(methoxymethyl)-1H-imidazol-4-yl]methanamine
CID 96589936
[4-(methoxymethyl)-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114361593
[4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 114378325

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(methoxymethyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 5-(aminomethyl)-4-(methoxymethyl)-3H-1,3-thiazol-2-one (CID 114361603) is 5-(aminomethyl)-4-(methoxymethyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-(aminomethyl)-4-(methoxymethyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-(aminomethyl)-4-(methoxymethyl)-3H-1,3-thiazol-2-one is COCc1[nH]c(=O)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-(methoxymethyl)-3H-1,3-thiazol-2-one?
The InChIKey is RMMZTATVJWWLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-10-3-4-5(2-7)11-6(9)8-4/h2-3,7H2,1H3,(H,8,9).
What are the key properties of 5-(aminomethyl)-4-(methoxymethyl)-3H-1,3-thiazol-2-one?
5-(aminomethyl)-4-(methoxymethyl)-3H-1,3-thiazol-2-one has a molecular weight of 174.22 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-(methoxymethyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114361603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).