N-(4-fluorophenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide

C16H19FN4O2S — CID 1399856

IUPACN-(4-fluorophenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C16H19FN4O2S/c1-10(2)9-15-20-21-16(24-15)19-14(23)8-7-13(22)18-12-5-3-11(17)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,18,22)(H,19,21,23)
InChIKeyVTVWWFXIOXQZEG-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.23
Rot. Bonds7

About N-(4-fluorophenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide

N-(4-fluorophenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide (PubChem CID 1399856) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide
PubChem CID1399856
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC NameN-(4-fluorophenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C16H19FN4O2S/c1-10(2)9-15-20-21-16(24-15)19-14(23)8-7-13(22)18-12-5-3-11(17)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,18,22)(H,19,21,23)
InChIKeyVTVWWFXIOXQZEG-UHFFFAOYSA-N
XLogP3.23
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide
CID 944946
Succinamide, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-N'-phenyl-
CID 1390721
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-[(trifluoroacetyl)amino]benzamide
CID 1514485
3-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2963095
N-(4-ethylphenyl)-N'-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 941605
N1-(5-isobutyl-1,3,4-thiadiazol-2-yl)-N4-phenylsuccinamide
CID 944343
N-(4-chlorophenyl)-N'-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 1400163
Succinamide, N-(p-chlorophenyl)-N'-(5-isopropyl-1,3,4-thiadiazol-2-yl)-
CID 1401153
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 650320
N-(5-tert-Butyl-[1,3,4]thiadiazol-2-yl)-3-isobutyrylamino-benzamide
CID 891134
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-3-isobutyrylamino-benzamide
CID 978132
3-Isobutyrylamino-N-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 1080674

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide (CID 1399856) is N-(4-fluorophenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide is CC(C)Cc1nnc(NC(=O)CCC(=O)Nc2ccc(F)cc2)s1.
What is the InChIKey of N-(4-fluorophenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide?
The InChIKey is VTVWWFXIOXQZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-10(2)9-15-20-21-16(24-15)19-14(23)8-7-13(22)18-12-5-3-11(17)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,18,22)(H,19,21,23).
What are the key properties of N-(4-fluorophenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide?
N-(4-fluorophenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide has a molecular weight of 350.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide is sourced from PubChem (CID 1399856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).