3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide

C19H18FN5OS — CID 70975127

IUPAC3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nnc(NCC3(c4ncccc4F)CCC3)s2)c1
InChIInChI=1S/C19H18FN5OS/c20-14-6-2-9-22-15(14)19(7-3-8-19)11-23-18-25-24-17(27-18)13-5-1-4-12(10-13)16(21)26/h1-2,4-6,9-10H,3,7-8,11H2,(H2,21,26)(H,23,25)
InChIKeyDIIUCGOGJNQCLU-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.37
Rot. Bonds6

About 3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide

3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 70975127) has the molecular formula C19H18FN5OS and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID70975127
Molecular FormulaC19H18FN5OS
Molecular Weight383.45 g/mol
Exact Mass383.12
IUPAC Name3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nnc(NCC3(c4ncccc4F)CCC3)s2)c1
InChIInChI=1S/C19H18FN5OS/c20-14-6-2-9-22-15(14)19(7-3-8-19)11-23-18-25-24-17(27-18)13-5-1-4-12(10-13)16(21)26/h1-2,4-6,9-10H,3,7-8,11H2,(H2,21,26)(H,23,25)
InChIKeyDIIUCGOGJNQCLU-UHFFFAOYSA-N
XLogP3.37
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70974755
4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70974823
4-fluoro-3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,2,4-thiadiazol-3-yl]benzamide
CID 71469152
4-fluoro-3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide
CID 71268097
3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide
CID 54590831
5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 70975198
3-[[[6-(3-carbamoylphenyl)pyridazin-3-yl]amino]methyl]-3-(3-fluoro-2-pyridinyl)azetidine-1-carboxylic acid
CID 121281847
methyl 4-fluoro-3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzoate
CID 70974953
5-chloro-2-[5-chloro-6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazole-4-carboxylic acid
CID 118498119
3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-(hydroxymethyl)benzamide
CID 67460243
6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide
CID 88899569
2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 77432036

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide (CID 70975127) is 3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide is NC(=O)c1cccc(-c2nnc(NCC3(c4ncccc4F)CCC3)s2)c1.
What is the InChIKey of 3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is DIIUCGOGJNQCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5OS/c20-14-6-2-9-22-15(14)19(7-3-8-19)11-23-18-25-24-17(27-18)13-5-1-4-12(10-13)16(21)26/h1-2,4-6,9-10H,3,7-8,11H2,(H2,21,26)(H,23,25).
What are the key properties of 3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide?
3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 383.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 70975127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).