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

C15H17FN4OS2 — CID 86918990

IUPAC2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCC(Sc1nnc(NC2CC2)s1)C(=O)NCc1ccccc1F
InChIInChI=1S/C15H17FN4OS2/c1-9(13(21)17-8-10-4-2-3-5-12(10)16)22-15-20-19-14(23-15)18-11-6-7-11/h2-5,9,11H,6-8H2,1H3,(H,17,21)(H,18,19)
InChIKeySKNZAJGSGRZLDV-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.05
Rot. Bonds7

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

2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 86918990) has the molecular formula C15H17FN4OS2 and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID86918990
Molecular FormulaC15H17FN4OS2
Molecular Weight352.46 g/mol
Exact Mass352.08
IUPAC Name2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCC(Sc1nnc(NC2CC2)s1)C(=O)NCc1ccccc1F
InChIInChI=1S/C15H17FN4OS2/c1-9(13(21)17-8-10-4-2-3-5-12(10)16)22-15-20-19-14(23-15)18-11-6-7-11/h2-5,9,11H,6-8H2,1H3,(H,17,21)(H,18,19)
InChIKeySKNZAJGSGRZLDV-UHFFFAOYSA-N
XLogP3.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)propanamide
CID 8674662
(2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)propanamide
CID 9378448
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 40880961
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 51190931
(2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)propanamide
CID 8674591
N-(4-acetylphenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51190893
N-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 30079274
(2S)-N-(3-acetylphenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8674513
(2S)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide
CID 9120528
(2S)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 41449566
(2R)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 41449567
N-cyclopropyl-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46639725

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]propanamide (CID 86918990) is 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]propanamide is CC(Sc1nnc(NC2CC2)s1)C(=O)NCc1ccccc1F.
What is the InChIKey of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is SKNZAJGSGRZLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS2/c1-9(13(21)17-8-10-4-2-3-5-12(10)16)22-15-20-19-14(23-15)18-11-6-7-11/h2-5,9,11H,6-8H2,1H3,(H,17,21)(H,18,19).
What are the key properties of 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]propanamide?
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 352.46 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 86918990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).