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

C16H20ClN3O2S — CID 119579116

IUPAC[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1ccc(-c2ncc(C(=O)N3CCNC(C)C3)s2)cc1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-11-10-19(8-7-17-11)16(20)14-9-18-15(22-14)12-3-5-13(21-2)6-4-12;/h3-6,9,11,17H,7-8,10H2,1-2H3;1H
InChIKeyTUVOBQYTAQUOQY-UHFFFAOYSA-N
MW353.88 g/mol
LogP2.67
Rot. Bonds3

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

[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119579116) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119579116
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1ccc(-c2ncc(C(=O)N3CCNC(C)C3)s2)cc1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-11-10-19(8-7-17-11)16(20)14-9-18-15(22-14)12-3-5-13(21-2)6-4-12;/h3-6,9,11,17H,7-8,10H2,1-2H3;1H
InChIKeyTUVOBQYTAQUOQY-UHFFFAOYSA-N
XLogP2.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491471
(3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
CID 119380053
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540953
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 71994882
(4-fluorophenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]methanone
CID 139004966
[(3S)-3-methylpiperazin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 102612004
[(3R)-3-methylpiperazin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 105056306
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545366
[5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620498
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
CID 120816382
1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355418

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 119579116) is [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride is COc1ccc(-c2ncc(C(=O)N3CCNC(C)C3)s2)cc1.Cl.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is TUVOBQYTAQUOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S.ClH/c1-11-10-19(8-7-17-11)16(20)14-9-18-15(22-14)12-3-5-13(21-2)6-4-12;/h3-6,9,11,17H,7-8,10H2,1-2H3;1H.
What are the key properties of [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 353.88 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119579116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).