[4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine

C9H16N2O3S2 — CID 114361701

IUPAC[4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(C(C)S(C)(=O)=O)sc1CN
InChIInChI=1S/C9H16N2O3S2/c1-6(16(3,12)13)9-11-7(5-14-2)8(4-10)15-9/h6H,4-5,10H2,1-3H3
InChIKeyQXQNPEHYDOKTKY-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.85
Rot. Bonds5

About [4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine

[4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361701) has the molecular formula C9H16N2O3S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361701
Molecular FormulaC9H16N2O3S2
Molecular Weight264.37 g/mol
Exact Mass264.06
IUPAC Name[4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(C(C)S(C)(=O)=O)sc1CN
InChIInChI=1S/C9H16N2O3S2/c1-6(16(3,12)13)9-11-7(5-14-2)8(4-10)15-9/h6H,4-5,10H2,1-3H3
InChIKeyQXQNPEHYDOKTKY-UHFFFAOYSA-N
XLogP0.85
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine (CID 114361701) is [4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine is COCc1nc(C(C)S(C)(=O)=O)sc1CN.
What is the InChIKey of [4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is QXQNPEHYDOKTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S2/c1-6(16(3,12)13)9-11-7(5-14-2)8(4-10)15-9/h6H,4-5,10H2,1-3H3.
What are the key properties of [4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine?
[4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 264.37 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).