3,5-dichloro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-2-methoxybenzamide

C25H24Cl2FN3O3S — CID 10119486

IUPAC3,5-dichloro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)NCC1CCCCN1C(=O)c1nc(C)sc1-c1ccc(F)cc1
InChIInChI=1S/C25H24Cl2FN3O3S/c1-14-30-21(23(35-14)15-6-8-17(28)9-7-15)25(33)31-10-4-3-5-18(31)13-29-24(32)19-11-16(26)12-20(27)22(19)34-2/h6-9,11-12,18H,3-5,10,13H2,1-2H3,(H,29,32)
InChIKeyXWMIRMJOHHMDDG-UHFFFAOYSA-N
MW536.46 g/mol
LogP6.00
Rot. Bonds6

About 3,5-dichloro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-2-methoxybenzamide

3,5-dichloro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-2-methoxybenzamide (PubChem CID 10119486) has the molecular formula C25H24Cl2FN3O3S and a molecular weight of 536.46 g/mol. Its IUPAC name is 3,5-dichloro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-2-methoxybenzamide
PubChem CID10119486
Molecular FormulaC25H24Cl2FN3O3S
Molecular Weight536.46 g/mol
Exact Mass535.09
IUPAC Name3,5-dichloro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)NCC1CCCCN1C(=O)c1nc(C)sc1-c1ccc(F)cc1
InChIInChI=1S/C25H24Cl2FN3O3S/c1-14-30-21(23(35-14)15-6-8-17(28)9-7-15)25(33)31-10-4-3-5-18(31)13-29-24(32)19-11-16(26)12-20(27)22(19)34-2/h6-9,11-12,18H,3-5,10,13H2,1-2H3,(H,29,32)
InChIKeyXWMIRMJOHHMDDG-UHFFFAOYSA-N
XLogP6.00
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.46
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-2-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-2-methoxybenzamide (CID 10119486) is 3,5-dichloro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-2-methoxybenzamide is COc1c(Cl)cc(Cl)cc1C(=O)NCC1CCCCN1C(=O)c1nc(C)sc1-c1ccc(F)cc1.
What is the InChIKey of 3,5-dichloro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-2-methoxybenzamide?
The InChIKey is XWMIRMJOHHMDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2FN3O3S/c1-14-30-21(23(35-14)15-6-8-17(28)9-7-15)25(33)31-10-4-3-5-18(31)13-29-24(32)19-11-16(26)12-20(27)22(19)34-2/h6-9,11-12,18H,3-5,10,13H2,1-2H3,(H,29,32).
What are the key properties of 3,5-dichloro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-2-methoxybenzamide?
3,5-dichloro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-2-methoxybenzamide has a molecular weight of 536.46 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 10119486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).