[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

C20H21ClN4O2S — CID 120730375

IUPAC[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1ccc(-c2ncc(C(=O)N3CCNCC3c3cccnc3)s2)cc1.Cl
InChIInChI=1S/C20H20N4O2S.ClH/c1-26-16-6-4-14(5-7-16)19-23-13-18(27-19)20(25)24-10-9-22-12-17(24)15-3-2-8-21-11-15;/h2-8,11,13,17,22H,9-10,12H2,1H3;1H
InChIKeyUGECSWGIMKWLQC-UHFFFAOYSA-N
MW416.93 g/mol
LogP3.42
Rot. Bonds4

About [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120730375) has the molecular formula C20H21ClN4O2S and a molecular weight of 416.93 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120730375
Molecular FormulaC20H21ClN4O2S
Molecular Weight416.93 g/mol
Exact Mass416.11
IUPAC Name[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1ccc(-c2ncc(C(=O)N3CCNCC3c3cccnc3)s2)cc1.Cl
InChIInChI=1S/C20H20N4O2S.ClH/c1-26-16-6-4-14(5-7-16)19-23-13-18(27-19)20(25)24-10-9-22-12-17(24)15-3-2-8-21-11-15;/h2-8,11,13,17,22H,9-10,12H2,1H3;1H
InChIKeyUGECSWGIMKWLQC-UHFFFAOYSA-N
XLogP3.42
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728859
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879142
(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120731331
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
(6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120729855
(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 120729292
(6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729856
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703
[4-(3-methoxypropoxy)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730857
(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729058
(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (CID 120730375) is [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is COc1ccc(-c2ncc(C(=O)N3CCNCC3c3cccnc3)s2)cc1.Cl.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is UGECSWGIMKWLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S.ClH/c1-26-16-6-4-14(5-7-16)19-23-13-18(27-19)20(25)24-10-9-22-12-17(24)15-3-2-8-21-11-15;/h2-8,11,13,17,22H,9-10,12H2,1H3;1H.
What are the key properties of [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 416.93 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120730375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).