N-[5-[4-[1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide

C16H19F2N5OS — CID 118911345

IUPACN-[5-[4-[1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(N2CCN(C(C)c3ccc(F)c(F)c3)CC2)s1
InChIInChI=1S/C16H19F2N5OS/c1-10(12-3-4-13(17)14(18)9-12)22-5-7-23(8-6-22)16-21-20-15(25-16)19-11(2)24/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,24)
InChIKeyJWUUKMKURPKUJJ-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.66
Rot. Bonds4

About N-[5-[4-[1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[4-[1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 118911345) has the molecular formula C16H19F2N5OS and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[5-[4-[1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-[1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID118911345
Molecular FormulaC16H19F2N5OS
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC NameN-[5-[4-[1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(N2CCN(C(C)c3ccc(F)c(F)c3)CC2)s1
InChIInChI=1S/C16H19F2N5OS/c1-10(12-3-4-13(17)14(18)9-12)22-5-7-23(8-6-22)16-21-20-15(25-16)19-11(2)24/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,24)
InChIKeyJWUUKMKURPKUJJ-UHFFFAOYSA-N
XLogP2.66
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 118911306
N-[5-[4-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 156524471
N-[5-[4-[(1S)-1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 130384524
2-[4-[1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]acetic acid
CID 65055580
1-cyclopentyl-3-[5-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]urea
CID 58430706
1-(4-chlorophenyl)-3-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)urea
CID 22509963
4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxylic acid
CID 65067562
1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 55175672
N-[4-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
CID 11317868
1-[[5-[4-[1-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]amino]propan-2-one
CID 130384535
1-[[5-[4-[1-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]amino]propan-2-one
CID 130384534
1-[5-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]-2-methylbutan-1-one;ethane
CID 145356805

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[4-[1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide (CID 118911345) is N-[5-[4-[1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-[1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[4-[1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(N2CCN(C(C)c3ccc(F)c(F)c3)CC2)s1.
What is the InChIKey of N-[5-[4-[1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is JWUUKMKURPKUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5OS/c1-10(12-3-4-13(17)14(18)9-12)22-5-7-23(8-6-22)16-21-20-15(25-16)19-11(2)24/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,24).
What are the key properties of N-[5-[4-[1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[4-[1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 367.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[1-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 118911345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).