N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)cyclopentanecarboxamide

C24H31Cl2N3O2S — CID 42837942

IUPACN-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(CCN1CCCCC1)Cc1csc(COc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C24H31Cl2N3O2S/c25-19-8-9-21(26)22(14-19)31-16-23-27-20(17-32-23)15-29(24(30)18-6-2-3-7-18)13-12-28-10-4-1-5-11-28/h8-9,14,17-18H,1-7,10-13,15-16H2
InChIKeyQKYXBCOSIURTKI-UHFFFAOYSA-N
MW496.50 g/mol
LogP6.03
Rot. Bonds9

About N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)cyclopentanecarboxamide

N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)cyclopentanecarboxamide (PubChem CID 42837942) has the molecular formula C24H31Cl2N3O2S and a molecular weight of 496.50 g/mol. Its IUPAC name is N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)cyclopentanecarboxamide
PubChem CID42837942
Molecular FormulaC24H31Cl2N3O2S
Molecular Weight496.50 g/mol
Exact Mass495.15
IUPAC NameN-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(CCN1CCCCC1)Cc1csc(COc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C24H31Cl2N3O2S/c25-19-8-9-21(26)22(14-19)31-16-23-27-20(17-32-23)15-29(24(30)18-6-2-3-7-18)13-12-28-10-4-1-5-11-28/h8-9,14,17-18H,1-7,10-13,15-16H2
InChIKeyQKYXBCOSIURTKI-UHFFFAOYSA-N
XLogP6.03
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.50
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)cyclopentanecarboxamide?
The IUPAC name of N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)cyclopentanecarboxamide (CID 42837942) is N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)cyclopentanecarboxamide?
The canonical SMILES for N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)cyclopentanecarboxamide is O=C(C1CCCC1)N(CCN1CCCCC1)Cc1csc(COc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)cyclopentanecarboxamide?
The InChIKey is QKYXBCOSIURTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31Cl2N3O2S/c25-19-8-9-21(26)22(14-19)31-16-23-27-20(17-32-23)15-29(24(30)18-6-2-3-7-18)13-12-28-10-4-1-5-11-28/h8-9,14,17-18H,1-7,10-13,15-16H2.
What are the key properties of N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)cyclopentanecarboxamide?
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)cyclopentanecarboxamide has a molecular weight of 496.50 g/mol, XLogP of 6.03, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)cyclopentanecarboxamide is sourced from PubChem (CID 42837942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).