4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide

C19H18F2N4OS — CID 11234623

IUPAC4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide
SMILESCc1cccnc1C1(F)CCN(C(=O)Nc2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C19H18F2N4OS/c1-12-3-2-8-22-16(12)19(21)6-9-25(10-7-19)18(26)24-17-23-14-5-4-13(20)11-15(14)27-17/h2-5,8,11H,6-7,9-10H2,1H3,(H,23,24,26)
InChIKeyCHFBKUYWLKWMQH-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.63
Rot. Bonds2

About 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide

4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide (PubChem CID 11234623) has the molecular formula C19H18F2N4OS and a molecular weight of 388.44 g/mol. Its IUPAC name is 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide
PubChem CID11234623
Molecular FormulaC19H18F2N4OS
Molecular Weight388.44 g/mol
Exact Mass388.12
IUPAC Name4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide
SMILESCc1cccnc1C1(F)CCN(C(=O)Nc2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C19H18F2N4OS/c1-12-3-2-8-22-16(12)19(21)6-9-25(10-7-19)18(26)24-17-23-14-5-4-13(20)11-15(14)27-17/h2-5,8,11H,6-7,9-10H2,1H3,(H,23,24,26)
InChIKeyCHFBKUYWLKWMQH-UHFFFAOYSA-N
XLogP4.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide (CID 11234623) is 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide is Cc1cccnc1C1(F)CCN(C(=O)Nc2nc3ccc(F)cc3s2)CC1.
What is the InChIKey of 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide?
The InChIKey is CHFBKUYWLKWMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4OS/c1-12-3-2-8-22-16(12)19(21)6-9-25(10-7-19)18(26)24-17-23-14-5-4-13(20)11-15(14)27-17/h2-5,8,11H,6-7,9-10H2,1H3,(H,23,24,26).
What are the key properties of 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide?
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 11234623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).