N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C15H18N2O3S3 — CID 78811067

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(C(=O)Cc1csc(-c2cccs2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N2O3S3/c1-2-17(12-5-7-23(19,20)10-12)14(18)8-11-9-22-15(16-11)13-4-3-6-21-13/h3-4,6,9,12H,2,5,7-8,10H2,1H3
InChIKeyYUOCFKUQINEPDQ-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.45
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 78811067) has the molecular formula C15H18N2O3S3 and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID78811067
Molecular FormulaC15H18N2O3S3
Molecular Weight370.52 g/mol
Exact Mass370.05
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(C(=O)Cc1csc(-c2cccs2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N2O3S3/c1-2-17(12-5-7-23(19,20)10-12)14(18)8-11-9-22-15(16-11)13-4-3-6-21-13/h3-4,6,9,12H,2,5,7-8,10H2,1H3
InChIKeyYUOCFKUQINEPDQ-UHFFFAOYSA-N
XLogP2.45
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 112500923
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2421647
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 72852863
N-propyl-N-pyrrolidin-3-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119532609
N-(cyclopropylmethyl)-N-propyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 134015302
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55495130
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 33095170
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110413204
2-[(1,1-dioxothiolan-3-yl)-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 60844849
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 112844938
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1H-pyrrol-2-yl)acetamide
CID 110690842
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 134001295

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 78811067) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is CCN(C(=O)Cc1csc(-c2cccs2)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is YUOCFKUQINEPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S3/c1-2-17(12-5-7-23(19,20)10-12)14(18)8-11-9-22-15(16-11)13-4-3-6-21-13/h3-4,6,9,12H,2,5,7-8,10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 370.52 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 78811067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).