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

C14H19N3OS3 — CID 50975683

IUPAC2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
SMILESCCSc1nc(CC(=O)N(C)CCc2scnc2C)cs1
InChIInChI=1S/C14H19N3OS3/c1-4-19-14-16-11(8-20-14)7-13(18)17(3)6-5-12-10(2)15-9-21-12/h8-9H,4-7H2,1-3H3
InChIKeyWNNBOVXVVODYRZ-UHFFFAOYSA-N
MW341.53 g/mol
LogP3.26
Rot. Bonds7

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

2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide (PubChem CID 50975683) has the molecular formula C14H19N3OS3 and a molecular weight of 341.53 g/mol. Its IUPAC name is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
PubChem CID50975683
Molecular FormulaC14H19N3OS3
Molecular Weight341.53 g/mol
Exact Mass341.07
IUPAC Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
SMILESCCSc1nc(CC(=O)N(C)CCc2scnc2C)cs1
InChIInChI=1S/C14H19N3OS3/c1-4-19-14-16-11(8-20-14)7-13(18)17(3)6-5-12-10(2)15-9-21-12/h8-9H,4-7H2,1-3H3
InChIKeyWNNBOVXVVODYRZ-UHFFFAOYSA-N
XLogP3.26
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.53
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide
CID 91836808
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
CID 50964485
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 70733275
(E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]prop-2-enamide
CID 131945496
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]-1-propan-2-ylpyrazole-3-carboxamide
CID 119068240
(2R)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125438357
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 134049917
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
2-(2-ethoxyethyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 70748032
N-butyl-N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide
CID 110386244

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide (CID 50975683) is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide is CCSc1nc(CC(=O)N(C)CCc2scnc2C)cs1.
What is the InChIKey of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide?
The InChIKey is WNNBOVXVVODYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS3/c1-4-19-14-16-11(8-20-14)7-13(18)17(3)6-5-12-10(2)15-9-21-12/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide?
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide has a molecular weight of 341.53 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 50975683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).