N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide

C18H20N2O3S2 — CID 42569008

IUPACN-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCC(C)c1ccc(-c2nc(CC(=O)N[C@H]3C=CS(=O)(=O)C3)cs2)cc1
InChIInChI=1S/C18H20N2O3S2/c1-12(2)13-3-5-14(6-4-13)18-20-16(10-24-18)9-17(21)19-15-7-8-25(22,23)11-15/h3-8,10,12,15H,9,11H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyNWESILYXZCXAES-HNNXBMFYSA-N
MW376.50 g/mol
LogP2.90
Rot. Bonds5

About N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide

N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 42569008) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID42569008
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC NameN-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCC(C)c1ccc(-c2nc(CC(=O)N[C@H]3C=CS(=O)(=O)C3)cs2)cc1
InChIInChI=1S/C18H20N2O3S2/c1-12(2)13-3-5-14(6-4-13)18-20-16(10-24-18)9-17(21)19-15-7-8-25(22,23)11-15/h3-8,10,12,15H,9,11H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyNWESILYXZCXAES-HNNXBMFYSA-N
XLogP2.90
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890237
cyanomethyl 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetate
CID 7804997
N-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8714383
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetate
CID 7804977
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide
CID 82547973
3-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxane-3-carboxamide
CID 155945119
4-(chloromethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 2095697
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 32978171
3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119220562
[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-hydroxybenzoate
CID 7866808
2-[methyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 119905952
[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 3,4-dimethylbenzoate
CID 7794310

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide (CID 42569008) is N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide is CC(C)c1ccc(-c2nc(CC(=O)N[C@H]3C=CS(=O)(=O)C3)cs2)cc1.
What is the InChIKey of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is NWESILYXZCXAES-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-12(2)13-3-5-14(6-4-13)18-20-16(10-24-18)9-17(21)19-15-7-8-25(22,23)11-15/h3-8,10,12,15H,9,11H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide?
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 376.50 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 42569008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).