(3,4-dimethylphenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride

C18H24ClN3OS — CID 121067580

IUPAC(3,4-dimethylphenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride
SMILESCc1csc(CN2CCN(C(=O)c3ccc(C)c(C)c3)CC2)n1.Cl
InChIInChI=1S/C18H23N3OS.ClH/c1-13-4-5-16(10-14(13)2)18(22)21-8-6-20(7-9-21)11-17-19-15(3)12-23-17;/h4-5,10,12H,6-9,11H2,1-3H3;1H
InChIKeyDIZYWZNQMRSLRT-UHFFFAOYSA-N
MW365.93 g/mol
LogP3.45
Rot. Bonds3

About (3,4-dimethylphenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride

(3,4-dimethylphenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride (PubChem CID 121067580) has the molecular formula C18H24ClN3OS and a molecular weight of 365.93 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride
PubChem CID121067580
Molecular FormulaC18H24ClN3OS
Molecular Weight365.93 g/mol
Exact Mass365.13
IUPAC Name(3,4-dimethylphenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride
SMILESCc1csc(CN2CCN(C(=O)c3ccc(C)c(C)c3)CC2)n1.Cl
InChIInChI=1S/C18H23N3OS.ClH/c1-13-4-5-16(10-14(13)2)18(22)21-8-6-20(7-9-21)11-17-19-15(3)12-23-17;/h4-5,10,12H,6-9,11H2,1-3H3;1H
InChIKeyDIZYWZNQMRSLRT-UHFFFAOYSA-N
XLogP3.45
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.93
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,4-dimethylphenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

(3-fluorophenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride
CID 71780114
(3,4-dimethylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51308012
1,3-benzothiazol-6-yl-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 135100239
(3,4-dimethylphenyl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone;formic acid
CID 154920153
[2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 46157835
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 19294943
1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone;hydrochloride
CID 121067613
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-(3,4-dimethylphenyl)methanone
CID 110646601
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(3,4-dimethylphenyl)methanone
CID 63394698
(3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398984
[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 121094251
1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3,4-dimethylphenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride (CID 121067580) is (3,4-dimethylphenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3,4-dimethylphenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride is Cc1csc(CN2CCN(C(=O)c3ccc(C)c(C)c3)CC2)n1.Cl.
What is the InChIKey of (3,4-dimethylphenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride?
The InChIKey is DIZYWZNQMRSLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS.ClH/c1-13-4-5-16(10-14(13)2)18(22)21-8-6-20(7-9-21)11-17-19-15(3)12-23-17;/h4-5,10,12H,6-9,11H2,1-3H3;1H.
What are the key properties of (3,4-dimethylphenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride?
(3,4-dimethylphenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride has a molecular weight of 365.93 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 121067580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).