(4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone

C19H18N4OS — CID 110372125

IUPAC(4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2nccs2)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H18N4OS/c24-19(16-5-3-4-15(14-16)18-21-8-13-25-18)23-11-9-22(10-12-23)17-6-1-2-7-20-17/h1-8,13-14H,9-12H2
InChIKeySFUGTVXJQBPOJE-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.17
Rot. Bonds3

About (4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone

(4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone (PubChem CID 110372125) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is (4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
PubChem CID110372125
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name(4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2nccs2)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H18N4OS/c24-19(16-5-3-4-15(14-16)18-21-8-13-25-18)23-11-9-22(10-12-23)17-6-1-2-7-20-17/h1-8,13-14H,9-12H2
InChIKeySFUGTVXJQBPOJE-UHFFFAOYSA-N
XLogP3.17
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372090
[4-(2-fluorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372123
[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372121
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
[3-(1,3-thiazol-2-yl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 118771311
(3-pyrazolidin-4-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 133108023
N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109050733
2,3-dihydroindol-1-yl-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372145
[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110355859
(3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 112768640

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone (CID 110372125) is (4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone.
What is the SMILES notation for (4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The canonical SMILES for (4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone is O=C(c1cccc(-c2nccs2)c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The InChIKey is SFUGTVXJQBPOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c24-19(16-5-3-4-15(14-16)18-21-8-13-25-18)23-11-9-22(10-12-23)17-6-1-2-7-20-17/h1-8,13-14H,9-12H2.
What are the key properties of (4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone?
(4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone has a molecular weight of 350.45 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 110372125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).