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

C19H18FN5OS — CID 70974823

IUPAC4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnc(NCC3(c4ncccc4F)CCC3)s2)cc1
InChIInChI=1S/C19H18FN5OS/c20-14-3-1-10-22-15(14)19(8-2-9-19)11-23-18-25-24-17(27-18)13-6-4-12(5-7-13)16(21)26/h1,3-7,10H,2,8-9,11H2,(H2,21,26)(H,23,25)
InChIKeyJCXUVKGYAJDAMS-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.37
Rot. Bonds6

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

4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 70974823) has the molecular formula C19H18FN5OS and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID70974823
Molecular FormulaC19H18FN5OS
Molecular Weight383.45 g/mol
Exact Mass383.12
IUPAC Name4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnc(NCC3(c4ncccc4F)CCC3)s2)cc1
InChIInChI=1S/C19H18FN5OS/c20-14-3-1-10-22-15(14)19(8-2-9-19)11-23-18-25-24-17(27-18)13-6-4-12(5-7-13)16(21)26/h1,3-7,10H,2,8-9,11H2,(H2,21,26)(H,23,25)
InChIKeyJCXUVKGYAJDAMS-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-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70975127
3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70974755
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
5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 70975198
methyl 4-fluoro-3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzoate
CID 70974953
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
ethyl 2-[[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 88899815
5-chloro-2-[5-chloro-6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazole-4-carboxylic acid
CID 118498119
4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide
CID 89154417
N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(2,2,2-trifluoro-1-nitrosoethyl)-1,3-thiazol-2-yl]pyridazin-3-amine
CID 123507272

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide (CID 70974823) is 4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide is NC(=O)c1ccc(-c2nnc(NCC3(c4ncccc4F)CCC3)s2)cc1.
What is the InChIKey of 4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is JCXUVKGYAJDAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5OS/c20-14-3-1-10-22-15(14)19(8-2-9-19)11-23-18-25-24-17(27-18)13-6-4-12(5-7-13)16(21)26/h1,3-7,10H,2,8-9,11H2,(H2,21,26)(H,23,25).
What are the key properties of 4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide?
4-[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 4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 70974823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).