(3R)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C17H15F2N5OS — CID 52510389

IUPAC(3R)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1nc2cc(F)c(F)cc2s1)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C17H15F2N5OS/c18-11-7-13-14(8-12(11)19)26-17(22-13)23-15(25)10-3-1-6-24(9-10)16-20-4-2-5-21-16/h2,4-5,7-8,10H,1,3,6,9H2,(H,22,23,25)/t10-/m1/s1
InChIKeyZXGRAPGWPUUGFI-SNVBAGLBSA-N
MW375.40 g/mol
LogP3.22
Rot. Bonds3

About (3R)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3R)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 52510389) has the molecular formula C17H15F2N5OS and a molecular weight of 375.40 g/mol. Its IUPAC name is (3R)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID52510389
Molecular FormulaC17H15F2N5OS
Molecular Weight375.40 g/mol
Exact Mass375.10
IUPAC Name(3R)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1nc2cc(F)c(F)cc2s1)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C17H15F2N5OS/c18-11-7-13-14(8-12(11)19)26-17(22-13)23-15(25)10-3-1-6-24(9-10)16-20-4-2-5-21-16/h2,4-5,7-8,10H,1,3,6,9H2,(H,22,23,25)/t10-/m1/s1
InChIKeyZXGRAPGWPUUGFI-SNVBAGLBSA-N
XLogP3.22
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 71705168
(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51686412
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
N-(3-acetamido-4-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 47023979
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
N-(4-fluoro-2-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 47024487
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55955657
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55557554
N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 86207135
(3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 40599471

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 52510389) is (3R)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(Nc1nc2cc(F)c(F)cc2s1)[C@@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of (3R)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is ZXGRAPGWPUUGFI-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15F2N5OS/c18-11-7-13-14(8-12(11)19)26-17(22-13)23-15(25)10-3-1-6-24(9-10)16-20-4-2-5-21-16/h2,4-5,7-8,10H,1,3,6,9H2,(H,22,23,25)/t10-/m1/s1.
What are the key properties of (3R)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3R)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 52510389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).