[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone

C18H20Cl2N2OS — CID 58924946

IUPAC[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1csc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C18H20Cl2N2OS/c1-2-6-12-7-3-4-10-22(12)18(23)15-11-24-17(21-15)13-8-5-9-14(19)16(13)20/h5,8-9,11-12H,2-4,6-7,10H2,1H3
InChIKeyNLYVCJJCZPCLOX-UHFFFAOYSA-N
MW383.34 g/mol
LogP5.91
Rot. Bonds4

About [2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone

[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone (PubChem CID 58924946) has the molecular formula C18H20Cl2N2OS and a molecular weight of 383.34 g/mol. Its IUPAC name is [2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone
PubChem CID58924946
Molecular FormulaC18H20Cl2N2OS
Molecular Weight383.34 g/mol
Exact Mass382.07
IUPAC Name[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1csc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C18H20Cl2N2OS/c1-2-6-12-7-3-4-10-22(12)18(23)15-11-24-17(21-15)13-8-5-9-14(19)16(13)20/h5,8-9,11-12H,2-4,6-7,10H2,1H3
InChIKeyNLYVCJJCZPCLOX-UHFFFAOYSA-N
XLogP5.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.34
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 58924813
[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(2-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 124573522
[2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone
CID 119466413
[2-(methylaminomethyl)pyrrolidin-1-yl]-[2-(2-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 119651204
[2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 58924876
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119651638
[2-(methylaminomethyl)pyrrolidin-1-yl]-[2-(2-methylphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119651203
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 110889629
1-[2-(2,3-dichlorophenyl)-1,3-thiazole-4-carbonyl]azepan-4-one
CID 58924942
(2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 107689544
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of [2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone (CID 58924946) is [2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone is CCCC1CCCCN1C(=O)c1csc(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of [2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone?
The InChIKey is NLYVCJJCZPCLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2OS/c1-2-6-12-7-3-4-10-22(12)18(23)15-11-24-17(21-15)13-8-5-9-14(19)16(13)20/h5,8-9,11-12H,2-4,6-7,10H2,1H3.
What are the key properties of [2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone?
[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone has a molecular weight of 383.34 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 58924946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).