3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

C20H26N4O4S2 — CID 55492692

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C20H26N4O4S2/c25-19(22-8-10-23(11-9-22)20-21-7-16-29-20)6-3-17-1-4-18(5-2-17)30(26,27)24-12-14-28-15-13-24/h1-2,4-5,7,16H,3,6,8-15H2
InChIKeyDORUJXFPWFGHBD-UHFFFAOYSA-N
MW450.59 g/mol
LogP1.45
Rot. Bonds6

About 3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 55492692) has the molecular formula C20H26N4O4S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID55492692
Molecular FormulaC20H26N4O4S2
Molecular Weight450.59 g/mol
Exact Mass450.14
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C20H26N4O4S2/c25-19(22-8-10-23(11-9-22)20-21-7-16-29-20)6-3-17-1-4-18(5-2-17)30(26,27)24-12-14-28-15-13-24/h1-2,4-5,7,16H,3,6,8-15H2
InChIKeyDORUJXFPWFGHBD-UHFFFAOYSA-N
XLogP1.45
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-pyridin-3-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 158724204
1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
CID 55867380
1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 52741578
1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
CID 55976461
3-(1-methylpyrazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 56816525
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 41433862
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
2-fluoro-5-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]benzonitrile
CID 161385484
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-oxobutanamide
CID 55871272
3-naphthalen-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 150587390
1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 26199822

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (CID 55492692) is 3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2nccs2)CC1.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is DORUJXFPWFGHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S2/c25-19(22-8-10-23(11-9-22)20-21-7-16-29-20)6-3-17-1-4-18(5-2-17)30(26,27)24-12-14-28-15-13-24/h1-2,4-5,7,16H,3,6,8-15H2.
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 450.59 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 55492692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).