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

C21H22N2O2S2 — CID 55570324

IUPAC2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESCOc1cccc(-c2nc(CSCC(=O)NCCc3ccccc3)cs2)c1
InChIInChI=1S/C21H22N2O2S2/c1-25-19-9-5-8-17(12-19)21-23-18(14-27-21)13-26-15-20(24)22-11-10-16-6-3-2-4-7-16/h2-9,12,14H,10-11,13,15H2,1H3,(H,22,24)
InChIKeyKCNYXDRQXNQNGG-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.41
Rot. Bonds9

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

2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 55570324) has the molecular formula C21H22N2O2S2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID55570324
Molecular FormulaC21H22N2O2S2
Molecular Weight398.55 g/mol
Exact Mass398.11
IUPAC Name2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESCOc1cccc(-c2nc(CSCC(=O)NCCc3ccccc3)cs2)c1
InChIInChI=1S/C21H22N2O2S2/c1-25-19-9-5-8-17(12-19)21-23-18(14-27-21)13-26-15-20(24)22-11-10-16-6-3-2-4-7-16/h2-9,12,14H,10-11,13,15H2,1H3,(H,22,24)
InChIKeyKCNYXDRQXNQNGG-UHFFFAOYSA-N
XLogP4.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 55570036
N-(2-fluorophenyl)-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 84603566
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
CID 35344893
N-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9344065
N-(cyclopropylmethyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 60541980
2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 29132130
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800
3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7693515
3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide
CID 110333218
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
N-(2,5-dimethoxyphenyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38629529
N-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide
CID 110333198

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide (CID 55570324) is 2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide is COc1cccc(-c2nc(CSCC(=O)NCCc3ccccc3)cs2)c1.
What is the InChIKey of 2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is KCNYXDRQXNQNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S2/c1-25-19-9-5-8-17(12-19)21-23-18(14-27-21)13-26-15-20(24)22-11-10-16-6-3-2-4-7-16/h2-9,12,14H,10-11,13,15H2,1H3,(H,22,24).
What are the key properties of 2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide?
2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 398.55 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 55570324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).