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

C12H19N3O2S — CID 63979394

IUPAC(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2sc(N)nc2C)CC1
InChIInChI=1S/C12H19N3O2S/c1-8-10(18-12(13)14-8)11(16)15-5-3-9(4-6-15)7-17-2/h9H,3-7H2,1-2H3,(H2,13,14)
InChIKeySESYURGCNJTTJO-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.53
Rot. Bonds3

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

(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 63979394) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID63979394
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2sc(N)nc2C)CC1
InChIInChI=1S/C12H19N3O2S/c1-8-10(18-12(13)14-8)11(16)15-5-3-9(4-6-15)7-17-2/h9H,3-7H2,1-2H3,(H2,13,14)
InChIKeySESYURGCNJTTJO-UHFFFAOYSA-N
XLogP1.53
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone (CID 63979394) is (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCN(C(=O)c2sc(N)nc2C)CC1.
What is the InChIKey of (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is SESYURGCNJTTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8-10(18-12(13)14-8)11(16)15-5-3-9(4-6-15)7-17-2/h9H,3-7H2,1-2H3,(H2,13,14).
What are the key properties of (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 269.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63979394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).