(2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(4-fluorophenyl)acetamide

C16H13FN4OS2 — CID 42144517

IUPAC(2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(4-fluorophenyl)acetamide
SMILESNC(=O)[C@@H](Sc1nnc(Nc2ccccc2)s1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN4OS2/c17-11-8-6-10(7-9-11)13(14(18)22)23-16-21-20-15(24-16)19-12-4-2-1-3-5-12/h1-9,13H,(H2,18,22)(H,19,20)/t13-/m0/s1
InChIKeyFWVQEXMNXQCEHI-ZDUSSCGKSA-N
MW360.44 g/mol
LogP3.74
Rot. Bonds6

About (2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(4-fluorophenyl)acetamide

(2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(4-fluorophenyl)acetamide (PubChem CID 42144517) has the molecular formula C16H13FN4OS2 and a molecular weight of 360.44 g/mol. Its IUPAC name is (2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(4-fluorophenyl)acetamide
PubChem CID42144517
Molecular FormulaC16H13FN4OS2
Molecular Weight360.44 g/mol
Exact Mass360.05
IUPAC Name(2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(4-fluorophenyl)acetamide
SMILESNC(=O)[C@@H](Sc1nnc(Nc2ccccc2)s1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN4OS2/c17-11-8-6-10(7-9-11)13(14(18)22)23-16-21-20-15(24-16)19-12-4-2-1-3-5-12/h1-9,13H,(H2,18,22)(H,19,20)/t13-/m0/s1
InChIKeyFWVQEXMNXQCEHI-ZDUSSCGKSA-N
XLogP3.74
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(4-fluorophenyl)acetamide
CID 43056657
N-cyclopropyl-2-[[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 17468752
(2S)-2-(4-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 40810650
methyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 42971507
(2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-difluorophenyl)propan-1-one
CID 7999860
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
CID 2487356
2-(4-fluorophenyl)-2-(2-hydroxyphenyl)sulfanylacetamide
CID 71981299
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-dimethylpropanamide
CID 51209365
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 5237403
2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 46692147
(2S)-2-[[5-[(R)-carboxy(phenyl)methyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetic acid
CID 27153276
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,2-diphenylacetamide
CID 24557252

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of (2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(4-fluorophenyl)acetamide (CID 42144517) is (2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for (2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for (2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(4-fluorophenyl)acetamide is NC(=O)[C@@H](Sc1nnc(Nc2ccccc2)s1)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is FWVQEXMNXQCEHI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H13FN4OS2/c17-11-8-6-10(7-9-11)13(14(18)22)23-16-21-20-15(24-16)19-12-4-2-1-3-5-12/h1-9,13H,(H2,18,22)(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(4-fluorophenyl)acetamide?
(2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 360.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 42144517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).