(5R)-5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole

C14H27N3OS — CID 96558643

IUPAC(5R)-5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESC[C@@H]1CN=C(N2CCN(CCOC(C)(C)C)CC2)S1
InChIInChI=1S/C14H27N3OS/c1-12-11-15-13(19-12)17-7-5-16(6-8-17)9-10-18-14(2,3)4/h12H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyYQZZJALTHKVWSI-GFCCVEGCSA-N
MW285.46 g/mol
LogP1.91
Rot. Bonds3

About (5R)-5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole

(5R)-5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole (PubChem CID 96558643) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is (5R)-5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(5R)-5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole
PubChem CID96558643
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name(5R)-5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESC[C@@H]1CN=C(N2CCN(CCOC(C)(C)C)CC2)S1
InChIInChI=1S/C14H27N3OS/c1-12-11-15-13(19-12)17-7-5-16(6-8-17)9-10-18-14(2,3)4/h12H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyYQZZJALTHKVWSI-GFCCVEGCSA-N
XLogP1.91
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of (5R)-5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole (CID 96558643) is (5R)-5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (5R)-5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (5R)-5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole is C[C@@H]1CN=C(N2CCN(CCOC(C)(C)C)CC2)S1.
What is the InChIKey of (5R)-5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The InChIKey is YQZZJALTHKVWSI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-12-11-15-13(19-12)17-7-5-16(6-8-17)9-10-18-14(2,3)4/h12H,5-11H2,1-4H3/t12-/m1/s1.
What are the key properties of (5R)-5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
(5R)-5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole has a molecular weight of 285.46 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 96558643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).