2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide

C14H15ClN2OS2 — CID 47068561

IUPAC2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(SC(C)c2ccc(Cl)cc2)sc1CC(N)=O
InChIInChI=1S/C14H15ClN2OS2/c1-8-12(7-13(16)18)20-14(17-8)19-9(2)10-3-5-11(15)6-4-10/h3-6,9H,7H2,1-2H3,(H2,16,18)
InChIKeyYJLZPSMPQFVHOU-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.99
Rot. Bonds5

About 2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide

2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide (PubChem CID 47068561) has the molecular formula C14H15ClN2OS2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
PubChem CID47068561
Molecular FormulaC14H15ClN2OS2
Molecular Weight326.87 g/mol
Exact Mass326.03
IUPAC Name2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(SC(C)c2ccc(Cl)cc2)sc1CC(N)=O
InChIInChI=1S/C14H15ClN2OS2/c1-8-12(7-13(16)18)20-14(17-8)19-9(2)10-3-5-11(15)6-4-10/h3-6,9H,7H2,1-2H3,(H2,16,18)
InChIKeyYJLZPSMPQFVHOU-UHFFFAOYSA-N
XLogP3.99
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 52504711
2-[2-[1-(2,5-difluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
CID 47065500
2-[2-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 46527887
2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide
CID 94801455
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide
CID 46683509
2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
CID 46683590
2-[2-[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 52531669
(2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
CID 51928928
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-butan-2-ylphenyl)propanamide
CID 46683524
2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 100842423
2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 24589923
2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 24589896

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of 2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide (CID 47068561) is 2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for 2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for 2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide is Cc1nc(SC(C)c2ccc(Cl)cc2)sc1CC(N)=O.
What is the InChIKey of 2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is YJLZPSMPQFVHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS2/c1-8-12(7-13(16)18)20-14(17-8)19-9(2)10-3-5-11(15)6-4-10/h3-6,9H,7H2,1-2H3,(H2,16,18).
What are the key properties of 2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide?
2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 326.87 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-chlorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 47068561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).