4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide

C18H15ClF2N4OS — CID 89154417

IUPAC4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide
SMILESNC(=O)c1ccc(Cl)c2nc(NCC3(c4ncccc4F)CC(F)C3)sc12
InChIInChI=1S/C18H15ClF2N4OS/c19-11-4-3-10(16(22)26)14-13(11)25-17(27-14)24-8-18(6-9(20)7-18)15-12(21)2-1-5-23-15/h1-5,9H,6-8H2,(H2,22,26)(H,24,25)
InChIKeyOWUCGXLQFNFURF-UHFFFAOYSA-N
MW408.86 g/mol
LogP4.06
Rot. Bonds5

About 4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide

4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide (PubChem CID 89154417) has the molecular formula C18H15ClF2N4OS and a molecular weight of 408.86 g/mol. Its IUPAC name is 4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide.

Molecular Properties

Compound Name4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide
PubChem CID89154417
Molecular FormulaC18H15ClF2N4OS
Molecular Weight408.86 g/mol
Exact Mass408.06
IUPAC Name4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide
SMILESNC(=O)c1ccc(Cl)c2nc(NCC3(c4ncccc4F)CC(F)C3)sc12
InChIInChI=1S/C18H15ClF2N4OS/c19-11-4-3-10(16(22)26)14-13(11)25-17(27-14)24-8-18(6-9(20)7-18)15-12(21)2-1-5-23-15/h1-5,9H,6-8H2,(H2,22,26)(H,24,25)
InChIKeyOWUCGXLQFNFURF-UHFFFAOYSA-N
XLogP4.06
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.86
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide with MolForge

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Related Compounds

5-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 70975198
3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70974755
4-chloro-2-[[(2S,4S)-4-fluoro-2-(3-fluoro-2-pyridinyl)-2-methylpentyl]amino]-1,3-benzothiazole-7-carboxamide
CID 89425541
4-chloro-3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzonitrile
CID 70974943
2-fluoro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 121281954
3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 67451168
methyl 4-fluoro-3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzoate
CID 70974953
3-[5-fluoro-6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-3-pyridinyl]benzamide
CID 54590831
4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70974823
4-fluoro-3-[5-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzonitrile
CID 70975080
[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methanamine
CID 67453255
3-[2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]-4-(hydroxymethyl)benzamide
CID 67460243

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide?
The IUPAC name of 4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide (CID 89154417) is 4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide.
What is the SMILES notation for 4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide?
The canonical SMILES for 4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide is NC(=O)c1ccc(Cl)c2nc(NCC3(c4ncccc4F)CC(F)C3)sc12.
What is the InChIKey of 4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide?
The InChIKey is OWUCGXLQFNFURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N4OS/c19-11-4-3-10(16(22)26)14-13(11)25-17(27-14)24-8-18(6-9(20)7-18)15-12(21)2-1-5-23-15/h1-5,9H,6-8H2,(H2,22,26)(H,24,25).
What are the key properties of 4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide?
4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide has a molecular weight of 408.86 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide is sourced from PubChem (CID 89154417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).