[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride

C18H23ClN4O2S — CID 119729984

IUPAC[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3csc(CN)n3)CC2)cc1.Cl
InChIInChI=1S/C18H22N4O2S.ClH/c1-2-13-3-5-14(6-4-13)17(23)21-7-9-22(10-8-21)18(24)15-12-25-16(11-19)20-15;/h3-6,12H,2,7-11,19H2,1H3;1H
InChIKeyIZHOEUNRJRKOLJ-UHFFFAOYSA-N
MW394.93 g/mol
LogP2.18
Rot. Bonds4

About [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride

[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride (PubChem CID 119729984) has the molecular formula C18H23ClN4O2S and a molecular weight of 394.93 g/mol. Its IUPAC name is [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride
PubChem CID119729984
Molecular FormulaC18H23ClN4O2S
Molecular Weight394.93 g/mol
Exact Mass394.12
IUPAC Name[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride
SMILESCCc1ccc(C(=O)N2CCN(C(=O)c3csc(CN)n3)CC2)cc1.Cl
InChIInChI=1S/C18H22N4O2S.ClH/c1-2-13-3-5-14(6-4-13)17(23)21-7-9-22(10-8-21)18(24)15-12-25-16(11-19)20-15;/h3-6,12H,2,7-11,19H2,1H3;1H
InChIKeyIZHOEUNRJRKOLJ-UHFFFAOYSA-N
XLogP2.18
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.93
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride with MolForge

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Related Compounds

[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 119708708
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-chlorophenyl)methanone;hydrochloride
CID 119704882
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,4-diazepan-1-yl]-(4-chlorophenyl)methanone
CID 119747808
1-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 119754713
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4,4-diethylpiperidin-1-yl)methanone
CID 66379253
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 119710646
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 119838905
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(3,3-dimethylbutyl)piperazin-1-yl]methanone
CID 119860162
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119855927
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 66375906
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone
CID 66375737

Frequently Asked Questions

What is the IUPAC name of [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride?
The IUPAC name of [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride (CID 119729984) is [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride.
What is the SMILES notation for [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride?
The canonical SMILES for [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride is CCc1ccc(C(=O)N2CCN(C(=O)c3csc(CN)n3)CC2)cc1.Cl.
What is the InChIKey of [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride?
The InChIKey is IZHOEUNRJRKOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S.ClH/c1-2-13-3-5-14(6-4-13)17(23)21-7-9-22(10-8-21)18(24)15-12-25-16(11-19)20-15;/h3-6,12H,2,7-11,19H2,1H3;1H.
What are the key properties of [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride?
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride has a molecular weight of 394.93 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119729984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).