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

C18H17ClN2O2S2 — CID 38636574

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
SMILESC[C@@H](NC(=O)CSCc1csc(-c2ccco2)n1)c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O2S2/c1-12(14-5-2-3-6-15(14)19)20-17(22)11-24-9-13-10-25-18(21-13)16-7-4-8-23-16/h2-8,10,12H,9,11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyIXYFUYOMJKTCNB-GFCCVEGCSA-N
MW392.93 g/mol
LogP5.17
Rot. Bonds7

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

N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide (PubChem CID 38636574) has the molecular formula C18H17ClN2O2S2 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
PubChem CID38636574
Molecular FormulaC18H17ClN2O2S2
Molecular Weight392.93 g/mol
Exact Mass392.04
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
SMILESC[C@@H](NC(=O)CSCc1csc(-c2ccco2)n1)c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O2S2/c1-12(14-5-2-3-6-15(14)19)20-17(22)11-24-9-13-10-25-18(21-13)16-7-4-8-23-16/h2-8,10,12H,9,11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyIXYFUYOMJKTCNB-GFCCVEGCSA-N
XLogP5.17
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide with MolForge

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Related Compounds

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-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
methyl 4-[[2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzoate
CID 38636250
N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 43031352
N-[1-(2-chlorophenyl)ethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 134001528
(2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide
CID 94795933
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 79009387
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
CID 43249527
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31305146
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 7499952

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide (CID 38636574) is N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide is C[C@@H](NC(=O)CSCc1csc(-c2ccco2)n1)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
The InChIKey is IXYFUYOMJKTCNB-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17ClN2O2S2/c1-12(14-5-2-3-6-15(14)19)20-17(22)11-24-9-13-10-25-18(21-13)16-7-4-8-23-16/h2-8,10,12H,9,11H2,1H3,(H,20,22)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide?
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide has a molecular weight of 392.93 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 38636574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).