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

C20H25Cl2N3O2S — CID 46013165

IUPACN-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCC(=O)N(CCN1CCCCC1)Cc1csc(COc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C20H25Cl2N3O2S/c1-15(26)25(10-9-24-7-3-2-4-8-24)12-17-14-28-20(23-17)13-27-19-11-16(21)5-6-18(19)22/h5-6,11,14H,2-4,7-10,12-13H2,1H3
InChIKeyMPTNEBPRAPNCBI-UHFFFAOYSA-N
MW442.41 g/mol
LogP4.86
Rot. Bonds8

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

N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 46013165) has the molecular formula C20H25Cl2N3O2S and a molecular weight of 442.41 g/mol. Its IUPAC name is N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID46013165
Molecular FormulaC20H25Cl2N3O2S
Molecular Weight442.41 g/mol
Exact Mass441.10
IUPAC NameN-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCC(=O)N(CCN1CCCCC1)Cc1csc(COc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C20H25Cl2N3O2S/c1-15(26)25(10-9-24-7-3-2-4-8-24)12-17-14-28-20(23-17)13-27-19-11-16(21)5-6-18(19)22/h5-6,11,14H,2-4,7-10,12-13H2,1H3
InChIKeyMPTNEBPRAPNCBI-UHFFFAOYSA-N
XLogP4.86
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)cyclopentanecarboxamide
CID 42837942
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 46013156
3-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 42837286
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 46013197
2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid
CID 4980659
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide
CID 46013200
2-methoxy-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 42837458
3-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 46009168
N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 46150157
N-(2-piperidin-1-ylethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 46150470
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-fluoro-N-propan-2-ylbenzamide
CID 46013201
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 46013153

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)acetamide?
The IUPAC name of N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)acetamide (CID 46013165) is N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)acetamide is CC(=O)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)acetamide?
The InChIKey is MPTNEBPRAPNCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N3O2S/c1-15(26)25(10-9-24-7-3-2-4-8-24)12-17-14-28-20(23-17)13-27-19-11-16(21)5-6-18(19)22/h5-6,11,14H,2-4,7-10,12-13H2,1H3.
What are the key properties of N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)acetamide?
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 442.41 g/mol, XLogP of 4.86, 8 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)acetamide is sourced from PubChem (CID 46013165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).