N-[4-(furan-2-ylmethylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide

C18H18N2O3S2 — CID 112780766

IUPACN-[4-(furan-2-ylmethylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1N(C(C)=O)c1nc(CSCc2ccco2)cs1
InChIInChI=1S/C18H18N2O3S2/c1-13(21)20(16-7-3-4-8-17(16)22-2)18-19-14(11-25-18)10-24-12-15-6-5-9-23-15/h3-9,11H,10,12H2,1-2H3
InChIKeyMWCFSSMYTLOOFR-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.86
Rot. Bonds7

About N-[4-(furan-2-ylmethylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide

N-[4-(furan-2-ylmethylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 112780766) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID112780766
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC NameN-[4-(furan-2-ylmethylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1N(C(C)=O)c1nc(CSCc2ccco2)cs1
InChIInChI=1S/C18H18N2O3S2/c1-13(21)20(16-7-3-4-8-17(16)22-2)18-19-14(11-25-18)10-24-12-15-6-5-9-23-15/h3-9,11H,10,12H2,1-2H3
InChIKeyMWCFSSMYTLOOFR-UHFFFAOYSA-N
XLogP4.86
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
CID 30908616
N-[4-[(4-acetylphenoxy)methyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
CID 31980575
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7478091
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 1-methylpyrrole-2-carboxylate
CID 7284487
N-(2-methoxyphenyl)-N-[4-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 55317207
N-(2-methoxyphenyl)-N-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 41425378
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-acetamido-4,5-dimethoxybenzoate
CID 55311287
N-[4-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
CID 38991853
1-(2-methoxyphenyl)-1-[4-(2-oxopropyl)-1,3-thiazol-2-yl]urea
CID 23555732
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55368761
N-(2-methoxyphenyl)-N-[4-[[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 46679015
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7548719

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[4-(furan-2-ylmethylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide (CID 112780766) is N-[4-(furan-2-ylmethylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-(furan-2-ylmethylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1N(C(C)=O)c1nc(CSCc2ccco2)cs1.
What is the InChIKey of N-[4-(furan-2-ylmethylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is MWCFSSMYTLOOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c1-13(21)20(16-7-3-4-8-17(16)22-2)18-19-14(11-25-18)10-24-12-15-6-5-9-23-15/h3-9,11H,10,12H2,1-2H3.
What are the key properties of N-[4-(furan-2-ylmethylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide?
N-[4-(furan-2-ylmethylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 112780766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).