N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-N-methylacetamide

C17H21FN4OS — CID 133456861

IUPACN-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(c2nnc(Cc3ccc(F)cc3)s2)CC1
InChIInChI=1S/C17H21FN4OS/c1-12(23)21(2)15-7-9-22(10-8-15)17-20-19-16(24-17)11-13-3-5-14(18)6-4-13/h3-6,15H,7-11H2,1-2H3
InChIKeyKGBLUAKDHVWWNL-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.72
Rot. Bonds4

About N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-N-methylacetamide

N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-N-methylacetamide (PubChem CID 133456861) has the molecular formula C17H21FN4OS and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-N-methylacetamide
PubChem CID133456861
Molecular FormulaC17H21FN4OS
Molecular Weight348.45 g/mol
Exact Mass348.14
IUPAC NameN-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(c2nnc(Cc3ccc(F)cc3)s2)CC1
InChIInChI=1S/C17H21FN4OS/c1-12(23)21(2)15-7-9-22(10-8-15)17-20-19-16(24-17)11-13-3-5-14(18)6-4-13/h3-6,15H,7-11H2,1-2H3
InChIKeyKGBLUAKDHVWWNL-UHFFFAOYSA-N
XLogP2.72
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 133466002
2-[(4-fluorophenyl)methyl]-5-(4-methylazepan-1-yl)-1,3,4-thiadiazole
CID 133456989
2-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-N-methylacetamide
CID 133466082
N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]thiophene-3-carboxamide
CID 133456795
2-benzyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,4-thiadiazole
CID 133452104
2-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanol
CID 133465816
[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 133456473
N-(1,3-benzodioxol-5-yl)-1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 133466173
1-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 133466492
[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 133456080
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133457070
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133457826

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-N-methylacetamide (CID 133456861) is N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(c2nnc(Cc3ccc(F)cc3)s2)CC1.
What is the InChIKey of N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-N-methylacetamide?
The InChIKey is KGBLUAKDHVWWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4OS/c1-12(23)21(2)15-7-9-22(10-8-15)17-20-19-16(24-17)11-13-3-5-14(18)6-4-13/h3-6,15H,7-11H2,1-2H3.
What are the key properties of N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-N-methylacetamide?
N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-N-methylacetamide has a molecular weight of 348.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 133456861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).