N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide

C19H17ClN2O2S — CID 110645117

IUPACN-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C19H17ClN2O2S/c20-15-6-8-16(9-7-15)24-13-18(23)21-12-19-22-11-17(25-19)10-14-4-2-1-3-5-14/h1-9,11H,10,12-13H2,(H,21,23)
InChIKeyHVHFDTNNUKFYHH-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.08
Rot. Bonds7

About N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide

N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 110645117) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide
PubChem CID110645117
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC NameN-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C19H17ClN2O2S/c20-15-6-8-16(9-7-15)24-13-18(23)21-12-19-22-11-17(25-19)10-14-4-2-1-3-5-14/h1-9,11H,10,12-13H2,(H,21,23)
InChIKeyHVHFDTNNUKFYHH-UHFFFAOYSA-N
XLogP4.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide
CID 110421182
N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide
CID 110645143
1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea
CID 110645471
2-(4-chlorophenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546287
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 2130446
N-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide
CID 110645468
4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 17171925
2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115598858
2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
CID 170046008
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-phenylmethoxybenzamide
CID 3974923
2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 1371006
2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63311483

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide (CID 110645117) is N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)NCc1ncc(Cc2ccccc2)s1.
What is the InChIKey of N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is HVHFDTNNUKFYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c20-15-6-8-16(9-7-15)24-13-18(23)21-12-19-22-11-17(25-19)10-14-4-2-1-3-5-14/h1-9,11H,10,12-13H2,(H,21,23).
What are the key properties of N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide?
N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 372.88 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 110645117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).