2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide

C15H16F2N2O2S2 — CID 52504711

IUPAC2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(S[C@H](C)c2ccc(OC(F)F)cc2)sc1CC(N)=O
InChIInChI=1S/C15H16F2N2O2S2/c1-8-12(7-13(18)20)23-15(19-8)22-9(2)10-3-5-11(6-4-10)21-14(16)17/h3-6,9,14H,7H2,1-2H3,(H2,18,20)/t9-/m1/s1
InChIKeyZVQGVPDDESNVQB-SECBINFHSA-N
MW358.44 g/mol
LogP3.93
Rot. Bonds7

About 2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide

2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide (PubChem CID 52504711) has the molecular formula C15H16F2N2O2S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
PubChem CID52504711
Molecular FormulaC15H16F2N2O2S2
Molecular Weight358.44 g/mol
Exact Mass358.06
IUPAC Name2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(S[C@H](C)c2ccc(OC(F)F)cc2)sc1CC(N)=O
InChIInChI=1S/C15H16F2N2O2S2/c1-8-12(7-13(18)20)23-15(19-8)22-9(2)10-3-5-11(6-4-10)21-14(16)17/h3-6,9,14H,7H2,1-2H3,(H2,18,20)/t9-/m1/s1
InChIKeyZVQGVPDDESNVQB-SECBINFHSA-N
XLogP3.93
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methyl-2-[(1S)-1-phenylpropyl]sulfanyl-1,3-thiazol-5-yl]acetamide
CID 94801455
2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
CID 46683590
(2S)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
CID 51928928
2-[2-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 46527887
(2R)-2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 124730176
butyl 4-[[2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 46683789
(4R)-2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazole
CID 97065727
2-[2-(9H-fluoren-9-ylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 24589896
(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide
CID 29059969
2-[2-[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 24589851
ethyl (3R)-3-amino-3-[4-(difluoromethoxy)phenyl]-2-fluoropropanoate;hydrochloride
CID 171241697
2-[2-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 24589876

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of 2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide (CID 52504711) is 2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for 2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for 2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide is Cc1nc(S[C@H](C)c2ccc(OC(F)F)cc2)sc1CC(N)=O.
What is the InChIKey of 2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is ZVQGVPDDESNVQB-SECBINFHSA-N. The full InChI is InChI=1S/C15H16F2N2O2S2/c1-8-12(7-13(18)20)23-15(19-8)22-9(2)10-3-5-11(6-4-10)21-14(16)17/h3-6,9,14H,7H2,1-2H3,(H2,18,20)/t9-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 52504711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).