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

C16H20ClN3O2S — CID 119577837

IUPAC[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1ccccc1-c1nc(C(=O)N2CCNC(C)C2)cs1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-11-9-19(8-7-17-11)16(20)13-10-22-15(18-13)12-5-3-4-6-14(12)21-2;/h3-6,10-11,17H,7-9H2,1-2H3;1H
InChIKeyIIWGMCXCGFWWNS-UHFFFAOYSA-N
MW353.88 g/mol
LogP2.67
Rot. Bonds3

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

[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119577837) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119577837
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1ccccc1-c1nc(C(=O)N2CCNC(C)C2)cs1.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-11-9-19(8-7-17-11)16(20)13-10-22-15(18-13)12-5-3-4-6-14(12)21-2;/h3-6,10-11,17H,7-9H2,1-2H3;1H
InChIKeyIIWGMCXCGFWWNS-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

(3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119580533
1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154743864
[(3S)-3-methylpiperazin-1-yl]-[2-(5-phenylthiophen-2-yl)-1,3-thiazol-4-yl]methanone
CID 168858578
2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 126789660
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
3-[(3S)-1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124688636
(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428792
(4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 49074984
1-[(3S)-4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 166411179
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401434
[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124688381
(3-methylpiperazin-1-yl)-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methanone
CID 119579002

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 119577837) is [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride is COc1ccccc1-c1nc(C(=O)N2CCNC(C)C2)cs1.Cl.
What is the InChIKey of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is IIWGMCXCGFWWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S.ClH/c1-11-9-19(8-7-17-11)16(20)13-10-22-15(18-13)12-5-3-4-6-14(12)21-2;/h3-6,10-11,17H,7-9H2,1-2H3;1H.
What are the key properties of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
[2-(2-methoxyphenyl)-1,3-thiazol-4-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-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119577837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).