N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide

C18H15ClN2O2S — CID 86578418

IUPACN-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c1
InChIInChI=1S/C18H15ClN2O2S/c1-23-15-7-2-4-12(8-15)9-17(22)21-18-20-16(11-24-18)13-5-3-6-14(19)10-13/h2-8,10-11H,9H2,1H3,(H,20,21,22)
InChIKeyAXRXPXLIWSKVTC-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.65
Rot. Bonds5

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

N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 86578418) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID86578418
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC NameN-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c1
InChIInChI=1S/C18H15ClN2O2S/c1-23-15-7-2-4-12(8-15)9-17(22)21-18-20-16(11-24-18)13-5-3-6-14(19)10-13/h2-8,10-11H,9H2,1H3,(H,20,21,22)
InChIKeyAXRXPXLIWSKVTC-UHFFFAOYSA-N
XLogP4.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 16911472
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2550621
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 7915494
2-(3-methoxyphenyl)-N-[4-(2-methoxy-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
CID 24831672
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 24829572
4-(4-chlorophenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19197145
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
2-(4-chlorophenyl)-N-[3-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]acetamide
CID 18899377
2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 16565451
2-(4-ethylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196482
2-(5-chloro-2-methoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171133880

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide (CID 86578418) is N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c1.
What is the InChIKey of N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is AXRXPXLIWSKVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-23-15-7-2-4-12(8-15)9-17(22)21-18-20-16(11-24-18)13-5-3-6-14(19)10-13/h2-8,10-11H,9H2,1H3,(H,20,21,22).
What are the key properties of N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 358.85 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 86578418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).