1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one

C22H34N6O2S2 — CID 158048076

IUPAC1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2nccs2)CC1.CCCC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/2C11H17N3OS/c2*1-2-3-10(15)13-5-7-14(8-6-13)11-12-4-9-16-11/h2*4,9H,2-3,5-8H2,1H3
InChIKeyFJDPXIIGMAJOKE-UHFFFAOYSA-N
MW478.69 g/mol
LogP3.18
Rot. Bonds6

About 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one

1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one (PubChem CID 158048076) has the molecular formula C22H34N6O2S2 and a molecular weight of 478.69 g/mol. Its IUPAC name is 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
PubChem CID158048076
Molecular FormulaC22H34N6O2S2
Molecular Weight478.69 g/mol
Exact Mass478.22
IUPAC Name1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2nccs2)CC1.CCCC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/2C11H17N3OS/c2*1-2-3-10(15)13-5-7-14(8-6-13)11-12-4-9-16-11/h2*4,9H,2-3,5-8H2,1H3
InChIKeyFJDPXIIGMAJOKE-UHFFFAOYSA-N
XLogP3.18
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.69
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4,4-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 71146511
2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60708282
3,3-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 70866199
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
4-(methylamino)-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-one
CID 119863940
3-(1-methylpyrazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 56816525
4-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-one;dihydrochloride
CID 119863990
3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 41433862
3-naphthalen-1-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 150587390
2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
CID 83634826
3-pyridin-3-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 158724204
ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate
CID 43445563

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one (CID 158048076) is 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(c2nccs2)CC1.CCCC(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one?
The InChIKey is FJDPXIIGMAJOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H17N3OS/c2*1-2-3-10(15)13-5-7-14(8-6-13)11-12-4-9-16-11/h2*4,9H,2-3,5-8H2,1H3.
What are the key properties of 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one?
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one has a molecular weight of 478.69 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 158048076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).