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

C17H16N2O2S2 — CID 38636174

IUPACN-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
SMILESO=C(CSCc1csc(-c2ccco2)n1)NCc1ccccc1
InChIInChI=1S/C17H16N2O2S2/c20-16(18-9-13-5-2-1-3-6-13)12-22-10-14-11-23-17(19-14)15-7-4-8-21-15/h1-8,11H,9-10,12H2,(H,18,20)
InChIKeyCUUKZVXPUVFOCC-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.95
Rot. Bonds7

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

N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide (PubChem CID 38636174) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
PubChem CID38636174
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC NameN-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
SMILESO=C(CSCc1csc(-c2ccco2)n1)NCc1ccccc1
InChIInChI=1S/C17H16N2O2S2/c20-16(18-9-13-5-2-1-3-6-13)12-22-10-14-11-23-17(19-14)15-7-4-8-21-15/h1-8,11H,9-10,12H2,(H,18,20)
InChIKeyCUUKZVXPUVFOCC-UHFFFAOYSA-N
XLogP3.95
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide
CID 38636430
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 38636231
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 38636235
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38636574
methyl 4-[[2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzoate
CID 38636250
N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2-naphthalen-1-ylacetohydrazide
CID 32702744
2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 38628722
2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide
CID 71797311
(2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid
CID 99779339
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
CID 43249527
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
N-[(4-chlorophenyl)methyl]-2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 55570036

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide (CID 38636174) is N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide is O=C(CSCc1csc(-c2ccco2)n1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
The InChIKey is CUUKZVXPUVFOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c20-16(18-9-13-5-2-1-3-6-13)12-22-10-14-11-23-17(19-14)15-7-4-8-21-15/h1-8,11H,9-10,12H2,(H,18,20).
What are the key properties of N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide has a molecular weight of 344.46 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 38636174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).