1-morpholin-4-yl-2-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone

C17H28N4O2S — CID 126777513

IUPAC1-morpholin-4-yl-2-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(C)c1cnc(CN2CCN(CC(=O)N3CCOCC3)CC2)s1
InChIInChI=1S/C17H28N4O2S/c1-14(2)15-11-18-16(24-15)12-19-3-5-20(6-4-19)13-17(22)21-7-9-23-10-8-21/h11,14H,3-10,12-13H2,1-2H3
InChIKeyFKLFAWJKDDDYPP-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.24
Rot. Bonds5

About 1-morpholin-4-yl-2-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone

1-morpholin-4-yl-2-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 126777513) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
PubChem CID126777513
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name1-morpholin-4-yl-2-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(C)c1cnc(CN2CCN(CC(=O)N3CCOCC3)CC2)s1
InChIInChI=1S/C17H28N4O2S/c1-14(2)15-11-18-16(24-15)12-19-3-5-20(6-4-19)13-17(22)21-7-9-23-10-8-21/h11,14H,3-10,12-13H2,1-2H3
InChIKeyFKLFAWJKDDDYPP-UHFFFAOYSA-N
XLogP1.24
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
CID 104517036
2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 78835226
N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 120897637
2-[4-(2-methylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 145317208
2-[methyl-[[(2R)-4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340998
1-(4-benzylpiperazin-1-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55446651
N-methyl-1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]ethanamine
CID 115092055
(E)-3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82424816
4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide
CID 34710306
N-cyclopentyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 128951171
2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone
CID 21061564

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone (CID 126777513) is 1-morpholin-4-yl-2-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone is CC(C)c1cnc(CN2CCN(CC(=O)N3CCOCC3)CC2)s1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is FKLFAWJKDDDYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-14(2)15-11-18-16(24-15)12-19-3-5-20(6-4-19)13-17(22)21-7-9-23-10-8-21/h11,14H,3-10,12-13H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-2-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone?
1-morpholin-4-yl-2-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 352.50 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 126777513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).