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

C12H19N3O2S — CID 104872448

IUPAC(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1nc(N)sc1C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C12H19N3O2S/c1-7-10(18-12(13)14-7)11(17)15-5-3-9(4-6-15)8(2)16/h8-9,16H,3-6H2,1-2H3,(H2,13,14)
InChIKeyPFDHUQWQMOFNLB-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.27
Rot. Bonds2

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

(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 104872448) 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-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID104872448
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1nc(N)sc1C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C12H19N3O2S/c1-7-10(18-12(13)14-7)11(17)15-5-3-9(4-6-15)8(2)16/h8-9,16H,3-6H2,1-2H3,(H2,13,14)
InChIKeyPFDHUQWQMOFNLB-UHFFFAOYSA-N
XLogP1.27
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
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-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 104872448) is (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is Cc1nc(N)sc1C(=O)N1CCC(C(C)O)CC1.
What is the InChIKey of (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is PFDHUQWQMOFNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7-10(18-12(13)14-7)11(17)15-5-3-9(4-6-15)8(2)16/h8-9,16H,3-6H2,1-2H3,(H2,13,14).
What are the key properties of (2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 269.37 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 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-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 104872448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).