2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide

C19H20N2O3S2 — CID 38628722

IUPAC2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(-c2nc(CSCC(=O)NCc3ccco3)cs2)cc1
InChIInChI=1S/C19H20N2O3S2/c1-2-23-16-7-5-14(6-8-16)19-21-15(12-26-19)11-25-13-18(22)20-10-17-4-3-9-24-17/h3-9,12H,2,10-11,13H2,1H3,(H,20,22)
InChIKeyYZHIUOFYEYWXNV-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.35
Rot. Bonds9

About 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 38628722) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID38628722
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(-c2nc(CSCC(=O)NCc3ccco3)cs2)cc1
InChIInChI=1S/C19H20N2O3S2/c1-2-23-16-7-5-14(6-8-16)19-21-15(12-26-19)11-25-13-18(22)20-10-17-4-3-9-24-17/h3-9,12H,2,10-11,13H2,1H3,(H,20,22)
InChIKeyYZHIUOFYEYWXNV-UHFFFAOYSA-N
XLogP4.35
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 9401109
N-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38628754
N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38636174
N-(cyclopropylmethyl)-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 60541980
2-(4-ethoxyphenyl)-N-[2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 55616686
2-[[5-(4-ethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 19732215
3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 19225996
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide
CID 38636430
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135009
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9079933
N-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 55570036
2-[6-amino-1-(4-ethoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 16832956

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 38628722) is 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide is CCOc1ccc(-c2nc(CSCC(=O)NCc3ccco3)cs2)cc1.
What is the InChIKey of 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is YZHIUOFYEYWXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-2-23-16-7-5-14(6-8-16)19-21-15(12-26-19)11-25-13-18(22)20-10-17-4-3-9-24-17/h3-9,12H,2,10-11,13H2,1H3,(H,20,22).
What are the key properties of 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 388.51 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 38628722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).