(1-methylpiperidin-4-yl) 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate

C12H19N3O2S — CID 63628157

IUPAC(1-methylpiperidin-4-yl) 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(CN)sc1C(=O)OC1CCN(C)CC1
InChIInChI=1S/C12H19N3O2S/c1-8-11(18-10(7-13)14-8)12(16)17-9-3-5-15(2)6-4-9/h9H,3-7,13H2,1-2H3
InChIKeyYTSFPZADAPNFSP-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.16
Rot. Bonds3

About (1-methylpiperidin-4-yl) 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate

(1-methylpiperidin-4-yl) 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 63628157) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID63628157
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(1-methylpiperidin-4-yl) 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(CN)sc1C(=O)OC1CCN(C)CC1
InChIInChI=1S/C12H19N3O2S/c1-8-11(18-10(7-13)14-8)12(16)17-9-3-5-15(2)6-4-9/h9H,3-7,13H2,1-2H3
InChIKeyYTSFPZADAPNFSP-UHFFFAOYSA-N
XLogP1.16
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of (1-methylpiperidin-4-yl) 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 63628157) is (1-methylpiperidin-4-yl) 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for (1-methylpiperidin-4-yl) 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate is Cc1nc(CN)sc1C(=O)OC1CCN(C)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is YTSFPZADAPNFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8-11(18-10(7-13)14-8)12(16)17-9-3-5-15(2)6-4-9/h9H,3-7,13H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl) 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate?
(1-methylpiperidin-4-yl) 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 269.37 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 63628157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).