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

C21H21ClN2O2S — CID 55796894

IUPAC2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C21H21ClN2O2S/c1-14(2)26-19-8-6-17(7-9-19)23-20(25)12-18-13-27-21(24-18)11-15-4-3-5-16(22)10-15/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)
InChIKeyRZDAEPNLKRVTHQ-UHFFFAOYSA-N
MW400.93 g/mol
LogP5.36
Rot. Bonds7

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

2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 55796894) has the molecular formula C21H21ClN2O2S and a molecular weight of 400.93 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
PubChem CID55796894
Molecular FormulaC21H21ClN2O2S
Molecular Weight400.93 g/mol
Exact Mass400.10
IUPAC Name2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C21H21ClN2O2S/c1-14(2)26-19-8-6-17(7-9-19)23-20(25)12-18-13-27-21(24-18)11-15-4-3-5-16(22)10-15/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)
InChIKeyRZDAEPNLKRVTHQ-UHFFFAOYSA-N
XLogP5.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.93
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 43069303
N-(4-chloro-2-methylphenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 46427859
2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 110386278
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 55668062
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 55796237
methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate
CID 112831071
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 46427782
N-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]ethyl]-3-methoxybenzamide
CID 112822169
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55762873
3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide
CID 55881237
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55645634
N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 39822412

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide (CID 55796894) is 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is RZDAEPNLKRVTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S/c1-14(2)26-19-8-6-17(7-9-19)23-20(25)12-18-13-27-21(24-18)11-15-4-3-5-16(22)10-15/h3-10,13-14H,11-12H2,1-2H3,(H,23,25).
What are the key properties of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide?
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 400.93 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 55796894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).