(2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C16H20FN3OS3 — CID 8934985

IUPAC(2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCC(C)CSc1nnc(S[C@H](C)C(=O)NCc2ccc(F)cc2)s1
InChIInChI=1S/C16H20FN3OS3/c1-10(2)9-22-15-19-20-16(24-15)23-11(3)14(21)18-8-12-4-6-13(17)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,18,21)/t11-/m1/s1
InChIKeyXLZZZFMKAKTFNK-LLVKDONJSA-N
MW385.56 g/mol
LogP4.22
Rot. Bonds8

About (2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

(2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 8934985) has the molecular formula C16H20FN3OS3 and a molecular weight of 385.56 g/mol. Its IUPAC name is (2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID8934985
Molecular FormulaC16H20FN3OS3
Molecular Weight385.56 g/mol
Exact Mass385.08
IUPAC Name(2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCC(C)CSc1nnc(S[C@H](C)C(=O)NCc2ccc(F)cc2)s1
InChIInChI=1S/C16H20FN3OS3/c1-10(2)9-22-15-19-20-16(24-15)23-11(3)14(21)18-8-12-4-6-13(17)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,18,21)/t11-/m1/s1
InChIKeyXLZZZFMKAKTFNK-LLVKDONJSA-N
XLogP4.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide
CID 33294763
N-[(4-fluorophenyl)methyl]-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51236049
(2R)-N-(2,6-difluorophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8934935
N-(4-fluorophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 17444048
(2R)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 8972497
(2S)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 8972507
3-(4-fluorophenyl)-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100527445
N-cyclopropyl-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46639725
N-benzyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 18083275
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 46621783
(2R)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8674207

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 8934985) is (2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is CC(C)CSc1nnc(S[C@H](C)C(=O)NCc2ccc(F)cc2)s1.
What is the InChIKey of (2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is XLZZZFMKAKTFNK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20FN3OS3/c1-10(2)9-22-15-19-20-16(24-15)23-11(3)14(21)18-8-12-4-6-13(17)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,18,21)/t11-/m1/s1.
What are the key properties of (2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
(2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 385.56 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-fluorophenyl)methyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 8934985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).