4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3H-1,3-thiazol-2-one

C14H16N4O2S — CID 127893675

IUPAC4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3H-1,3-thiazol-2-one
SMILESO=C(c1csc(=O)[nH]1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C14H16N4O2S/c19-13(12-10-21-14(20)16-12)18-7-5-17(6-8-18)9-11-1-3-15-4-2-11/h1-4,10H,5-9H2,(H,16,20)
InChIKeyOLIDCCAYXHVXAB-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.79
Rot. Bonds3

About 4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3H-1,3-thiazol-2-one

4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3H-1,3-thiazol-2-one (PubChem CID 127893675) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3H-1,3-thiazol-2-one
PubChem CID127893675
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3H-1,3-thiazol-2-one
SMILESO=C(c1csc(=O)[nH]1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C14H16N4O2S/c19-13(12-10-21-14(20)16-12)18-7-5-17(6-8-18)9-11-1-3-15-4-2-11/h1-4,10H,5-9H2,(H,16,20)
InChIKeyOLIDCCAYXHVXAB-UHFFFAOYSA-N
XLogP0.79
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78833649
1H-pyrazol-5-yl-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 86284090
1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226484
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
(4-bromophenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 52988481
2,2-difluoro-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 103515239
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
(2,5-dichlorothiophen-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856983
1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 60953087
(2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 106686183
1-benzothiophen-5-yl-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70737964
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3H-1,3-thiazol-2-one (CID 127893675) is 4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3H-1,3-thiazol-2-one is O=C(c1csc(=O)[nH]1)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3H-1,3-thiazol-2-one?
The InChIKey is OLIDCCAYXHVXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c19-13(12-10-21-14(20)16-12)18-7-5-17(6-8-18)9-11-1-3-15-4-2-11/h1-4,10H,5-9H2,(H,16,20).
What are the key properties of 4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3H-1,3-thiazol-2-one?
4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3H-1,3-thiazol-2-one has a molecular weight of 304.38 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 127893675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).