N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide

C21H20ClN3O2S — CID 39822412

IUPACN-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(CNC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)NCc1ccccc1
InChIInChI=1S/C21H20ClN3O2S/c22-17-8-4-7-16(9-17)10-21-25-18(14-28-21)11-19(26)24-13-20(27)23-12-15-5-2-1-3-6-15/h1-9,14H,10-13H2,(H,23,27)(H,24,26)
InChIKeyRFMPTDYZDYMPTN-UHFFFAOYSA-N
MW413.93 g/mol
LogP3.36
Rot. Bonds8

About N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide

N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 39822412) has the molecular formula C21H20ClN3O2S and a molecular weight of 413.93 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
PubChem CID39822412
Molecular FormulaC21H20ClN3O2S
Molecular Weight413.93 g/mol
Exact Mass413.10
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(CNC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)NCc1ccccc1
InChIInChI=1S/C21H20ClN3O2S/c22-17-8-4-7-16(9-17)10-21-25-18(14-28-21)11-19(26)24-13-20(27)23-12-15-5-2-1-3-6-15/h1-9,14H,10-13H2,(H,23,27)(H,24,26)
InChIKeyRFMPTDYZDYMPTN-UHFFFAOYSA-N
XLogP3.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55762873
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 46427782
2-[2-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148071
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 24524667
N-(4-chloro-2-methylphenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 46427859
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 26841666
N-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]ethyl]-3-methoxybenzamide
CID 112822169
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(3,5-difluorophenyl)acetamide
CID 86284851
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 38304679
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 55796894

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide (CID 39822412) is N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide is O=C(CNC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)NCc1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is RFMPTDYZDYMPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2S/c22-17-8-4-7-16(9-17)10-21-25-18(14-28-21)11-19(26)24-13-20(27)23-12-15-5-2-1-3-6-15/h1-9,14H,10-13H2,(H,23,27)(H,24,26).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide?
N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 413.93 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 39822412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).