2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C16H17ClN2O3S2 — CID 25163247

IUPAC2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)CCS(=O)(=O)C1
InChIInChI=1S/C16H17ClN2O3S2/c1-16(5-6-24(21,22)10-16)19-14(20)8-13-9-23-15(18-13)11-3-2-4-12(17)7-11/h2-4,7,9H,5-6,8,10H2,1H3,(H,19,20)
InChIKeyOBBGLXIXNZIUHX-UHFFFAOYSA-N
MW384.91 g/mol
LogP2.70
Rot. Bonds4

About 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 25163247) has the molecular formula C16H17ClN2O3S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID25163247
Molecular FormulaC16H17ClN2O3S2
Molecular Weight384.91 g/mol
Exact Mass384.04
IUPAC Name2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)CCS(=O)(=O)C1
InChIInChI=1S/C16H17ClN2O3S2/c1-16(5-6-24(21,22)10-16)19-14(20)8-13-9-23-15(18-13)11-3-2-4-12(17)7-11/h2-4,7,9H,5-6,8,10H2,1H3,(H,19,20)
InChIKeyOBBGLXIXNZIUHX-UHFFFAOYSA-N
XLogP2.70
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 25163247) is 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is CC1(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)CCS(=O)(=O)C1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is OBBGLXIXNZIUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S2/c1-16(5-6-24(21,22)10-16)19-14(20)8-13-9-23-15(18-13)11-3-2-4-12(17)7-11/h2-4,7,9H,5-6,8,10H2,1H3,(H,19,20).
What are the key properties of 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 384.91 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 25163247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).