2-(2,3-dichlorophenyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide

C20H25Cl2N3OS — CID 59338739

IUPAC2-(2,3-dichlorophenyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2Cl)sc1C(=O)NCCCN1CCCCC1C
InChIInChI=1S/C20H25Cl2N3OS/c1-13-7-3-4-11-25(13)12-6-10-23-19(26)18-14(2)24-20(27-18)15-8-5-9-16(21)17(15)22/h5,8-9,13H,3-4,6-7,10-12H2,1-2H3,(H,23,26)
InChIKeyFHXKFYGGXRAHTG-UHFFFAOYSA-N
MW426.41 g/mol
LogP5.42
Rot. Bonds6

About 2-(2,3-dichlorophenyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide

2-(2,3-dichlorophenyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 59338739) has the molecular formula C20H25Cl2N3OS and a molecular weight of 426.41 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
PubChem CID59338739
Molecular FormulaC20H25Cl2N3OS
Molecular Weight426.41 g/mol
Exact Mass425.11
IUPAC Name2-(2,3-dichlorophenyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2Cl)sc1C(=O)NCCCN1CCCCC1C
InChIInChI=1S/C20H25Cl2N3OS/c1-13-7-3-4-11-25(13)12-6-10-23-19(26)18-14(2)24-20(27-18)15-8-5-9-16(21)17(15)22/h5,8-9,13H,3-4,6-7,10-12H2,1-2H3,(H,23,26)
InChIKeyFHXKFYGGXRAHTG-UHFFFAOYSA-N
XLogP5.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.41
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59337953
4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 94868020
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 43080560
2-(4-ethoxyphenyl)-4-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 55723032
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 104740859
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 62794675
2-(4-chlorophenyl)-4-methyl-N-(4-pyrrolidin-1-ylbutyl)-1,3-thiazole-5-carboxamide
CID 39084197
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
CID 9472411
5-(methylamino)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617943

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,3-dichlorophenyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (CID 59338739) is 2-(2,3-dichlorophenyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,3-dichlorophenyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccc(Cl)c2Cl)sc1C(=O)NCCCN1CCCCC1C.
What is the InChIKey of 2-(2,3-dichlorophenyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FHXKFYGGXRAHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N3OS/c1-13-7-3-4-11-25(13)12-6-10-23-19(26)18-14(2)24-20(27-18)15-8-5-9-16(21)17(15)22/h5,8-9,13H,3-4,6-7,10-12H2,1-2H3,(H,23,26).
What are the key properties of 2-(2,3-dichlorophenyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
2-(2,3-dichlorophenyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 426.41 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59338739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).