(2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

C11H9F2N3OS2 — CID 8935846

IUPAC(2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1nncs1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H9F2N3OS2/c1-6(19-11-16-14-5-18-11)10(17)15-9-3-2-7(12)4-8(9)13/h2-6H,1H3,(H,15,17)/t6-/m1/s1
InChIKeyNXIURKBDDATZIV-ZCFIWIBFSA-N
MW301.34 g/mol
LogP2.94
Rot. Bonds4

About (2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

(2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (PubChem CID 8935846) has the molecular formula C11H9F2N3OS2 and a molecular weight of 301.34 g/mol. Its IUPAC name is (2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
PubChem CID8935846
Molecular FormulaC11H9F2N3OS2
Molecular Weight301.34 g/mol
Exact Mass301.02
IUPAC Name(2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1nncs1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H9F2N3OS2/c1-6(19-11-16-14-5-18-11)10(17)15-9-3-2-7(12)4-8(9)13/h2-6H,1H3,(H,15,17)/t6-/m1/s1
InChIKeyNXIURKBDDATZIV-ZCFIWIBFSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8890306
N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51141818
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
N-(5-chloro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46622670
(2S)-N-(2-methyl-4-propan-2-yloxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 94627097
N-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46623230
(2S)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532139
(2R)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532142
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 887088
N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2947131
N-(2,4-difluorophenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51236039
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2,4-difluorophenyl)propanamide
CID 8985865

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The IUPAC name of (2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (CID 8935846) is (2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for (2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for (2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is C[C@@H](Sc1nncs1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of (2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The InChIKey is NXIURKBDDATZIV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H9F2N3OS2/c1-6(19-11-16-14-5-18-11)10(17)15-9-3-2-7(12)4-8(9)13/h2-6H,1H3,(H,15,17)/t6-/m1/s1.
What are the key properties of (2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
(2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide has a molecular weight of 301.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 8935846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).