(3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride

C15H19Cl2N3OS — CID 119580533

IUPAC(3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride
SMILESCC1CN(C(=O)c2csc(-c3ccccc3)n2)CCN1.Cl.Cl
InChIInChI=1S/C15H17N3OS.2ClH/c1-11-9-18(8-7-16-11)15(19)13-10-20-14(17-13)12-5-3-2-4-6-12;;/h2-6,10-11,16H,7-9H2,1H3;2*1H
InChIKeySGDWTFQKOWFKMO-UHFFFAOYSA-N
MW360.31 g/mol
LogP3.09
Rot. Bonds2

About (3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride

(3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride (PubChem CID 119580533) has the molecular formula C15H19Cl2N3OS and a molecular weight of 360.31 g/mol. Its IUPAC name is (3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride
PubChem CID119580533
Molecular FormulaC15H19Cl2N3OS
Molecular Weight360.31 g/mol
Exact Mass359.06
IUPAC Name(3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride
SMILESCC1CN(C(=O)c2csc(-c3ccccc3)n2)CCN1.Cl.Cl
InChIInChI=1S/C15H17N3OS.2ClH/c1-11-9-18(8-7-16-11)15(19)13-10-20-14(17-13)12-5-3-2-4-6-12;;/h2-6,10-11,16H,7-9H2,1H3;2*1H
InChIKeySGDWTFQKOWFKMO-UHFFFAOYSA-N
XLogP3.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-methylpiperazin-1-yl]-[2-(5-phenylthiophen-2-yl)-1,3-thiazol-4-yl]methanone
CID 168858578
(3-methylpiperazin-1-yl)-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methanone
CID 119579002
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577837
(3-methylpiperazin-1-yl)-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methanone
CID 119580818
(3,5-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 51204784
4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 47123816
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 58924870
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401434
(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 40856160
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 120819742
(3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride
CID 119576327
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119580568

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride?
The IUPAC name of (3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride (CID 119580533) is (3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride.
What is the SMILES notation for (3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride?
The canonical SMILES for (3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride is CC1CN(C(=O)c2csc(-c3ccccc3)n2)CCN1.Cl.Cl.
What is the InChIKey of (3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride?
The InChIKey is SGDWTFQKOWFKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS.2ClH/c1-11-9-18(8-7-16-11)15(19)13-10-20-14(17-13)12-5-3-2-4-6-12;;/h2-6,10-11,16H,7-9H2,1H3;2*1H.
What are the key properties of (3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride?
(3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride has a molecular weight of 360.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119580533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).