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

C14H27N3OS — CID 75377123

IUPAC5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESCC1CN=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
InChIKeyYQZZJALTHKVWSI-UHFFFAOYSA-N
MW285.46 g/mol
LogP1.91
Rot. Bonds3

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

5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole (PubChem CID 75377123) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole
PubChem CID75377123
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESCC1CN=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
InChIKeyYQZZJALTHKVWSI-UHFFFAOYSA-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

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

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Related Compounds

(5R)-5-methyl-2-[4-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole
CID 99828848
(5S)-5-methyl-2-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
CID 96558661
4-methyl-3-[2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazol-2-one
CID 71976345
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 59691701
2-methyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine
CID 149478332
(2R)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 96558635
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
(5S)-5-methyl-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
CID 125138758
(3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 104976707
1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 71986153
3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]aniline
CID 115942867
(2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 170669697

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole (CID 75377123) is 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 5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole is CC1CN=C(N2CCN(CCOC(C)(C)C)CC2)S1.
What is the InChIKey of 5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The InChIKey is YQZZJALTHKVWSI-UHFFFAOYSA-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.
What are the key properties of 5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
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 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 75377123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).