N-(2-cyclopentylpyrazol-3-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C18H19FN6OS2 — CID 8674340

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(Nc2cccc(F)c2)s1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C18H19FN6OS2/c19-12-4-3-5-13(10-12)21-17-23-24-18(28-17)27-11-16(26)22-15-8-9-20-25(15)14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7,11H2,(H,21,23)(H,22,26)
InChIKeyTXKLZZJWLVFPDZ-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.46
Rot. Bonds7

About N-(2-cyclopentylpyrazol-3-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(2-cyclopentylpyrazol-3-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 8674340) has the molecular formula C18H19FN6OS2 and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID8674340
Molecular FormulaC18H19FN6OS2
Molecular Weight418.52 g/mol
Exact Mass418.10
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(Nc2cccc(F)c2)s1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C18H19FN6OS2/c19-12-4-3-5-13(10-12)21-17-23-24-18(28-17)27-11-16(26)22-15-8-9-20-25(15)14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7,11H2,(H,21,23)(H,22,26)
InChIKeyTXKLZZJWLVFPDZ-UHFFFAOYSA-N
XLogP4.46
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532107
2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 8084588
N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-3-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)propanamide
CID 16882868
2-((1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 135506691
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[1-(4-fluorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide
CID 135442392
N-Cyclopentyl-3-({[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazol-4-YL]methyl}sulfanyl)propanamide
CID 6625732
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 16294805
N-(2-cyclopentylpyrazol-3-yl)-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16349226
N-(2-Fluorophenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazol-4-YL]methyl}sulfanyl)acetamide
CID 22511688
N-(4-Fluorophenyl)-2-({[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazol-4-YL]methyl}sulfanyl)acetamide
CID 22511689
N-(3-fluorophenyl)-N'-{1-[1-(tetrahydro-2H-thiopyran-4-yl)-4-piperidinyl]-1H-pyrazol-5-yl}urea
CID 28071170
N-(3-fluorophenyl)-N'-(1-{1-[3-(1H-pyrazol-1-yl)propanoyl]-4-piperidinyl}-1H-pyrazol-5-yl)urea
CID 42527822

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 8674340) is N-(2-cyclopentylpyrazol-3-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(Nc2cccc(F)c2)s1)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is TXKLZZJWLVFPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6OS2/c19-12-4-3-5-13(10-12)21-17-23-24-18(28-17)27-11-16(26)22-15-8-9-20-25(15)14-6-1-2-7-14/h3-5,8-10,14H,1-2,6-7,11H2,(H,21,23)(H,22,26).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 418.52 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 8674340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).