1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one

C20H25N3O3S — CID 110368073

IUPAC1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCN(C(=O)c2sc(C)nc2C)CC1
InChIInChI=1S/C20H25N3O3S/c1-14-19(27-15(2)21-14)20(25)23-12-10-22(11-13-23)18(24)9-8-16-6-4-5-7-17(16)26-3/h4-7H,8-13H2,1-3H3
InChIKeyIXSZZNDBCALUDW-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.69
Rot. Bonds5

About 1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one

1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one (PubChem CID 110368073) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
PubChem CID110368073
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCN(C(=O)c2sc(C)nc2C)CC1
InChIInChI=1S/C20H25N3O3S/c1-14-19(27-15(2)21-14)20(25)23-12-10-22(11-13-23)18(24)9-8-16-6-4-5-7-17(16)26-3/h4-7H,8-13H2,1-3H3
InChIKeyIXSZZNDBCALUDW-UHFFFAOYSA-N
XLogP2.69
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868551
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 39711237
3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813
1-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471047
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 95758872
1-(4-hexan-3-ylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 142202294
3-(2-methoxyphenyl)-1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 39354592
1-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 82090865
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 18456289
3-(2-methoxyphenyl)-1-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110395785

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one (CID 110368073) is 1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one is COc1ccccc1CCC(=O)N1CCN(C(=O)c2sc(C)nc2C)CC1.
What is the InChIKey of 1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The InChIKey is IXSZZNDBCALUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14-19(27-15(2)21-14)20(25)23-12-10-22(11-13-23)18(24)9-8-16-6-4-5-7-17(16)26-3/h4-7H,8-13H2,1-3H3.
What are the key properties of 1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one has a molecular weight of 387.51 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 110368073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).