2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

C24H27N3O2S2 — CID 24549613

IUPAC2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESCc1ccc(-c2csc(=S)n2CC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C24H27N3O2S2/c1-18-2-8-21(9-3-18)22-17-31-24(30)27(22)16-23(28)25-14-19-4-6-20(7-5-19)15-26-10-12-29-13-11-26/h2-9,17H,10-16H2,1H3,(H,25,28)
InChIKeyJZRUSNRRHBTOBC-UHFFFAOYSA-N
MW453.63 g/mol
LogP4.40
Rot. Bonds7

About 2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 24549613) has the molecular formula C24H27N3O2S2 and a molecular weight of 453.63 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
PubChem CID24549613
Molecular FormulaC24H27N3O2S2
Molecular Weight453.63 g/mol
Exact Mass453.15
IUPAC Name2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESCc1ccc(-c2csc(=S)n2CC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C24H27N3O2S2/c1-18-2-8-21(9-3-18)22-17-31-24(30)27(22)16-23(28)25-14-19-4-6-20(7-5-19)15-26-10-12-29-13-11-26/h2-9,17H,10-16H2,1H3,(H,25,28)
InChIKeyJZRUSNRRHBTOBC-UHFFFAOYSA-N
XLogP4.40
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.63
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17495918
2-(4-methylpiperidin-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8558402
N',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide
CID 9164002
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31642761
N-[(4-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
CID 108943434
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
CID 24545899
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 9473849
2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133206073
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 87018121
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
CID 9412036

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (CID 24549613) is 2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is Cc1ccc(-c2csc(=S)n2CC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is JZRUSNRRHBTOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S2/c1-18-2-8-21(9-3-18)22-17-31-24(30)27(22)16-23(28)25-14-19-4-6-20(7-5-19)15-26-10-12-29-13-11-26/h2-9,17H,10-16H2,1H3,(H,25,28).
What are the key properties of 2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 453.63 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 24549613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).