[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C13H21N3O2S — CID 63655370

IUPAC[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCN(CC(C)(C)O)CC2)cs1
InChIInChI=1S/C13H21N3O2S/c1-10-14-11(8-19-10)12(17)16-6-4-15(5-7-16)9-13(2,3)18/h8,18H,4-7,9H2,1-3H3
InChIKeyMYCPEMYKGLKFOS-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.98
Rot. Bonds3

About [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 63655370) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID63655370
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCN(CC(C)(C)O)CC2)cs1
InChIInChI=1S/C13H21N3O2S/c1-10-14-11(8-19-10)12(17)16-6-4-15(5-7-16)9-13(2,3)18/h8,18H,4-7,9H2,1-3H3
InChIKeyMYCPEMYKGLKFOS-UHFFFAOYSA-N
XLogP0.98
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-(2-morpholin-4-ylmethylthiazol-4-yl)-methanone
CID 11530172
(4-Isopropyl-piperazin-1-yl)-{2-[(2-methoxy-ethylamino)-methyl]-thiazol-4-yl}-methanone
CID 11558917
Cobicistat metabolite M9.1
CID 69479782
(4-Ethylpiperazin-1-yl)-(2-ethynyl-1,3-thiazol-4-yl)methanone
CID 168282839
1-(Ethylsulfonyl)-4-[(2-propyl-1,3-thiazol-4-yl)carbonyl]piperazine
CID 50966452
[4-(2-Hydroxybutyl)piperazin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 53624902
Methyl 4-[(2-propyl-1,3-thiazol-4-yl)carbonyl]-1-piperazinecarboxylate
CID 72937370
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 103932997
N,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide
CID 46944152
(3S*,4R*)-4-(hydroxymethyl)-1-[(2-propyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinol
CID 56916632
(3-((Dimethylamino)methyl)-1,4-thiazepan-4-yl)(2-methylthiazol-4-yl)methanone
CID 71801697
N-(2-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198787

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 63655370) is [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCN(CC(C)(C)O)CC2)cs1.
What is the InChIKey of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is MYCPEMYKGLKFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-14-11(8-19-10)12(17)16-6-4-15(5-7-16)9-13(2,3)18/h8,18H,4-7,9H2,1-3H3.
What are the key properties of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 283.40 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 63655370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).