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

C19H18N2O2S2 — CID 9412036

IUPACN-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(-c3ccc(C)cc3)csc2=S)cc1
InChIInChI=1S/C19H18N2O2S2/c1-13-3-5-14(6-4-13)17-12-25-19(24)21(17)11-18(22)20-15-7-9-16(23-2)10-8-15/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyCQXBFOIVNZUGGU-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.90
Rot. Bonds5

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

N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide (PubChem CID 9412036) has the molecular formula C19H18N2O2S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
PubChem CID9412036
Molecular FormulaC19H18N2O2S2
Molecular Weight370.50 g/mol
Exact Mass370.08
IUPAC NameN-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(-c3ccc(C)cc3)csc2=S)cc1
InChIInChI=1S/C19H18N2O2S2/c1-13-3-5-14(6-4-13)17-12-25-19(24)21(17)11-18(22)20-15-7-9-16(23-2)10-8-15/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyCQXBFOIVNZUGGU-UHFFFAOYSA-N
XLogP4.90
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide
CID 9164002
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetate
CID 3607181
2-methyl-N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide
CID 9220959
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
CID 24647566
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 108794896
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
N-[4-[[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]amino]phenyl]-2-methylpropanamide
CID 42122752
N-(4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248607
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 20969537
N-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 19164026

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide (CID 9412036) is N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide is COc1ccc(NC(=O)Cn2c(-c3ccc(C)cc3)csc2=S)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide?
The InChIKey is CQXBFOIVNZUGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S2/c1-13-3-5-14(6-4-13)17-12-25-19(24)21(17)11-18(22)20-15-7-9-16(23-2)10-8-15/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide?
N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide has a molecular weight of 370.50 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide is sourced from PubChem (CID 9412036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).