(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

C11H17N3O2S — CID 114678315

IUPAC(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCc1nc(N)sc1C(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C11H17N3O2S/c1-6-5-14(4-3-8(6)15)10(16)9-7(2)13-11(12)17-9/h6,8,15H,3-5H2,1-2H3,(H2,12,13)
InChIKeyZQZMKEFJEVBOQH-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.88
Rot. Bonds1

About (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone

(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114678315) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114678315
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCc1nc(N)sc1C(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C11H17N3O2S/c1-6-5-14(4-3-8(6)15)10(16)9-7(2)13-11(12)17-9/h6,8,15H,3-5H2,1-2H3,(H2,12,13)
InChIKeyZQZMKEFJEVBOQH-UHFFFAOYSA-N
XLogP0.88
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 94896080
(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167266
(2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62792174
(4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 114680256
(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114683836
(4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methanone
CID 128523099
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 104872448
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62793622
1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 62792562
(2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408882
1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylpiperidine-4-carboxamide
CID 62793582
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63979394

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114678315) is (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is Cc1nc(N)sc1C(=O)N1CCC(O)C(C)C1.
What is the InChIKey of (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is ZQZMKEFJEVBOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-6-5-14(4-3-8(6)15)10(16)9-7(2)13-11(12)17-9/h6,8,15H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of (2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 255.34 g/mol, XLogP of 0.88, 1 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-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114678315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).