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

C18H18N2O2S2 — CID 38636231

IUPAC2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CSCc1csc(-c2ccco2)n1)c1ccccc1
InChIInChI=1S/C18H18N2O2S2/c1-13(14-6-3-2-4-7-14)19-17(21)12-23-10-15-11-24-18(20-15)16-8-5-9-22-16/h2-9,11,13H,10,12H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyDADFDPSHUPPASX-ZDUSSCGKSA-N
MW358.49 g/mol
LogP4.51
Rot. Bonds7

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

2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 38636231) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID38636231
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CSCc1csc(-c2ccco2)n1)c1ccccc1
InChIInChI=1S/C18H18N2O2S2/c1-13(14-6-3-2-4-7-14)19-17(21)12-23-10-15-11-24-18(20-15)16-8-5-9-22-16/h2-9,11,13H,10,12H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyDADFDPSHUPPASX-ZDUSSCGKSA-N
XLogP4.51
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide with MolForge

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38636574
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide
CID 38636430
N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38636174
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 38636235
2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 46635996
methyl 4-[[2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzoate
CID 38636250
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 79009387
(2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide
CID 94795933
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
CID 43249527
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-benzamidobutanoate
CID 55529422
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide
CID 51886493
methyl 2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetate
CID 18078994

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide (CID 38636231) is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)CSCc1csc(-c2ccco2)n1)c1ccccc1.
What is the InChIKey of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is DADFDPSHUPPASX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-13(14-6-3-2-4-7-14)19-17(21)12-23-10-15-11-24-18(20-15)16-8-5-9-22-16/h2-9,11,13H,10,12H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide?
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 358.49 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 38636231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).