N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C17H20N2O3S2 — CID 9049138

IUPACN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)n2)c1
InChIInChI=1S/C17H20N2O3S2/c1-11-3-4-12(2)14(7-11)15-9-23-17(18-15)19-16(20)8-13-5-6-24(21,22)10-13/h3-4,7,9,13H,5-6,8,10H2,1-2H3,(H,18,19,20)/t13-/m0/s1
InChIKeyGCQJNOIGRWZYNT-ZDUSSCGKSA-N
MW364.49 g/mol
LogP3.19
Rot. Bonds4

About N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 9049138) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID9049138
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)n2)c1
InChIInChI=1S/C17H20N2O3S2/c1-11-3-4-12(2)14(7-11)15-9-23-17(18-15)19-16(20)8-13-5-6-24(21,22)10-13/h3-4,7,9,13H,5-6,8,10H2,1-2H3,(H,18,19,20)/t13-/m0/s1
InChIKeyGCQJNOIGRWZYNT-ZDUSSCGKSA-N
XLogP3.19
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9046754
2-(1,1-dioxothiolan-3-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 5053215
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4670180
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7222665
2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3324498
N-[3-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630708
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(1,1-dioxothiolan-3-yl)acetohydrazide
CID 55395780
N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7115987
3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7921833
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7222640
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196976

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 9049138) is N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide is Cc1ccc(C)c(-c2csc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is GCQJNOIGRWZYNT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-11-3-4-12(2)14(7-11)15-9-23-17(18-15)19-16(20)8-13-5-6-24(21,22)10-13/h3-4,7,9,13H,5-6,8,10H2,1-2H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 9049138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).