2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide

C13H18N2O3S2 — CID 70733275

IUPAC2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
SMILESCc1ncsc1CCN(C)C(=O)CC1C=CS(=O)(=O)C1
InChIInChI=1S/C13H18N2O3S2/c1-10-12(19-9-14-10)3-5-15(2)13(16)7-11-4-6-20(17,18)8-11/h4,6,9,11H,3,5,7-8H2,1-2H3
InChIKeyDGMVKHHXABEZMF-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.40
Rot. Bonds5

About 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide

2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide (PubChem CID 70733275) has the molecular formula C13H18N2O3S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
PubChem CID70733275
Molecular FormulaC13H18N2O3S2
Molecular Weight314.43 g/mol
Exact Mass314.08
IUPAC Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
SMILESCc1ncsc1CCN(C)C(=O)CC1C=CS(=O)(=O)C1
InChIInChI=1S/C13H18N2O3S2/c1-10-12(19-9-14-10)3-5-15(2)13(16)7-11-4-6-20(17,18)8-11/h4,6,9,11H,3,5,7-8H2,1-2H3
InChIKeyDGMVKHHXABEZMF-UHFFFAOYSA-N
XLogP1.40
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125438357
trans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide
CID 72873298
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
2-(azetidin-3-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 64610217
(3R,4R)-N,1-dimethyl-4-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 70763061
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]azetidin-3-amine
CID 66188326
1-(4-chlorophenyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 77085263
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 50975572
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 50975683
N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 77085118
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 56911022
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CID 62071366

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide (CID 70733275) is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide is Cc1ncsc1CCN(C)C(=O)CC1C=CS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide?
The InChIKey is DGMVKHHXABEZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S2/c1-10-12(19-9-14-10)3-5-15(2)13(16)7-11-4-6-20(17,18)8-11/h4,6,9,11H,3,5,7-8H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide?
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide has a molecular weight of 314.43 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 70733275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).