1-(4-fluorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea

C14H16FN5OS — CID 20885174

IUPAC1-(4-fluorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1nnc(N2CCCCC2)s1
InChIInChI=1S/C14H16FN5OS/c15-10-4-6-11(7-5-10)16-12(21)17-13-18-19-14(22-13)20-8-2-1-3-9-20/h4-7H,1-3,8-9H2,(H2,16,17,18,21)
InChIKeyGBACVOKDFBHGIQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.31
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea

1-(4-fluorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 20885174) has the molecular formula C14H16FN5OS and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea
PubChem CID20885174
Molecular FormulaC14H16FN5OS
Molecular Weight321.38 g/mol
Exact Mass321.11
IUPAC Name1-(4-fluorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1nnc(N2CCCCC2)s1
InChIInChI=1S/C14H16FN5OS/c15-10-4-6-11(7-5-10)16-12(21)17-13-18-19-14(22-13)20-8-2-1-3-9-20/h4-7H,1-3,8-9H2,(H2,16,17,18,21)
InChIKeyGBACVOKDFBHGIQ-UHFFFAOYSA-N
XLogP3.31
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)urea
CID 22509963
ethyl 1-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxylate
CID 20886395
1-(3-chloro-4-methylphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea
CID 22509982
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea
CID 22510506
1-(3-chloro-4-methylphenyl)-3-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)urea
CID 22509953
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2,5-dimethylphenyl)urea
CID 22509940
1-(2-ethoxyphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea
CID 22510522
N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 69168862
1-(2,6-dichlorophenyl)-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 58430784
N-(4-acetamidophenyl)-2-[[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16823373
(2S)-2-[[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid
CID 7587032
1-[(4-fluorophenyl)methyl]-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 22510779

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea (CID 20885174) is 1-(4-fluorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea is O=C(Nc1ccc(F)cc1)Nc1nnc(N2CCCCC2)s1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is GBACVOKDFBHGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5OS/c15-10-4-6-11(7-5-10)16-12(21)17-13-18-19-14(22-13)20-8-2-1-3-9-20/h4-7H,1-3,8-9H2,(H2,16,17,18,21).
What are the key properties of 1-(4-fluorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea?
1-(4-fluorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 321.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 20885174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).