[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone

C13H22N4O2S — CID 116666571

IUPAC[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2sc(N(C)C)nc2N)CC1
InChIInChI=1S/C13H22N4O2S/c1-16(2)13-15-11(14)10(20-13)12(18)17-6-4-9(5-7-17)8-19-3/h9H,4-8,14H2,1-3H3
InChIKeyDXMIBTXHEBRGBV-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.29
Rot. Bonds4

About [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone

[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 116666571) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID116666571
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2sc(N(C)C)nc2N)CC1
InChIInChI=1S/C13H22N4O2S/c1-16(2)13-15-11(14)10(20-13)12(18)17-6-4-9(5-7-17)8-19-3/h9H,4-8,14H2,1-3H3
InChIKeyDXMIBTXHEBRGBV-UHFFFAOYSA-N
XLogP1.29
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone (CID 116666571) is [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCN(C(=O)c2sc(N(C)C)nc2N)CC1.
What is the InChIKey of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is DXMIBTXHEBRGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-16(2)13-15-11(14)10(20-13)12(18)17-6-4-9(5-7-17)8-19-3/h9H,4-8,14H2,1-3H3.
What are the key properties of [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone?
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 298.41 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 116666571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).