2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(4-fluorophenyl)acetamide

C13H13FN4OS — CID 133476238

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(4-fluorophenyl)acetamide
SMILESNC(=O)C(Nc1nc(C2CC2)ns1)c1ccc(F)cc1
InChIInChI=1S/C13H13FN4OS/c14-9-5-3-7(4-6-9)10(11(15)19)16-13-17-12(18-20-13)8-1-2-8/h3-6,8,10H,1-2H2,(H2,15,19)(H,16,17,18)
InChIKeySISSHSAPDYNTAK-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.19
Rot. Bonds5

About 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(4-fluorophenyl)acetamide

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(4-fluorophenyl)acetamide (PubChem CID 133476238) has the molecular formula C13H13FN4OS and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(4-fluorophenyl)acetamide
PubChem CID133476238
Molecular FormulaC13H13FN4OS
Molecular Weight292.34 g/mol
Exact Mass292.08
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(4-fluorophenyl)acetamide
SMILESNC(=O)C(Nc1nc(C2CC2)ns1)c1ccc(F)cc1
InChIInChI=1S/C13H13FN4OS/c14-9-5-3-7(4-6-9)10(11(15)19)16-13-17-12(18-20-13)8-1-2-8/h3-6,8,10H,1-2H2,(H2,15,19)(H,16,17,18)
InChIKeySISSHSAPDYNTAK-UHFFFAOYSA-N
XLogP2.19
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide
CID 133476266
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65271488
3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133352605
3-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-thiadiazol-5-amine
CID 133335502
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide
CID 113408656
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,3-dimethylbutanamide
CID 133394625
3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine
CID 133358780
3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65271665
(2R)-2-(4-fluorophenyl)-2-(4-methylanilino)acetamide
CID 93381369
2-(2-fluoroanilino)-2-(4-fluorophenyl)acetamide
CID 60710855
2-[(6,7-dichloroquinoxalin-2-yl)amino]-2-(4-fluorophenyl)acetamide
CID 133476267
3-cyclobutyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268424

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(4-fluorophenyl)acetamide (CID 133476238) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(4-fluorophenyl)acetamide is NC(=O)C(Nc1nc(C2CC2)ns1)c1ccc(F)cc1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(4-fluorophenyl)acetamide?
The InChIKey is SISSHSAPDYNTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4OS/c14-9-5-3-7(4-6-9)10(11(15)19)16-13-17-12(18-20-13)8-1-2-8/h3-6,8,10H,1-2H2,(H2,15,19)(H,16,17,18).
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(4-fluorophenyl)acetamide?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(4-fluorophenyl)acetamide has a molecular weight of 292.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 133476238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).