(2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

C14H15F2N3O2S3 — CID 8940019

IUPAC(2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCCSc1nnc(S[C@@H](C)C(=O)Nc2ccccc2OC(F)F)s1
InChIInChI=1S/C14H15F2N3O2S3/c1-3-22-13-18-19-14(24-13)23-8(2)11(20)17-9-6-4-5-7-10(9)21-12(15)16/h4-8,12H,3H2,1-2H3,(H,17,20)/t8-/m0/s1
InChIKeyBCFYGTDIHKPCGC-QMMMGPOBSA-N
MW391.49 g/mol
LogP4.37
Rot. Bonds8

About (2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

(2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (PubChem CID 8940019) has the molecular formula C14H15F2N3O2S3 and a molecular weight of 391.49 g/mol. Its IUPAC name is (2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
PubChem CID8940019
Molecular FormulaC14H15F2N3O2S3
Molecular Weight391.49 g/mol
Exact Mass391.03
IUPAC Name(2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCCSc1nnc(S[C@@H](C)C(=O)Nc2ccccc2OC(F)F)s1
InChIInChI=1S/C14H15F2N3O2S3/c1-3-22-13-18-19-14(24-13)23-8(2)11(20)17-9-6-4-5-7-10(9)21-12(15)16/h4-8,12H,3H2,1-2H3,(H,17,20)/t8-/m0/s1
InChIKeyBCFYGTDIHKPCGC-QMMMGPOBSA-N
XLogP4.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-[2-(difluoromethoxy)phenyl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8993580
N-(3-chloro-2-methylphenyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 84877731
N-(2-ethoxyphenyl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46622727
N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 18777406
N-[2-(difluoromethoxy)phenyl]-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 46620415
(2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 8939799
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 2084302
(2R)-N-(4-chlorophenyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 7692366
N-[2-(difluoromethoxy)phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
CID 51270329
N-(2-methoxyphenyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46626836
(2S)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8736878
(2R)-N-[2-(difluoromethoxy)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274459

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (CID 8940019) is (2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is CCSc1nnc(S[C@@H](C)C(=O)Nc2ccccc2OC(F)F)s1.
What is the InChIKey of (2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is BCFYGTDIHKPCGC-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H15F2N3O2S3/c1-3-22-13-18-19-14(24-13)23-8(2)11(20)17-9-6-4-5-7-10(9)21-12(15)16/h4-8,12H,3H2,1-2H3,(H,17,20)/t8-/m0/s1.
What are the key properties of (2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
(2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 391.49 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 8940019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).