N-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide

C17H19F2N3OS — CID 165433214

IUPACN-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(F)CCN(c2nc3c(F)cccc3s2)CC1)C1CC1
InChIInChI=1S/C17H19F2N3OS/c18-12-2-1-3-13-14(12)21-16(24-13)22-8-6-17(19,7-9-22)10-20-15(23)11-4-5-11/h1-3,11H,4-10H2,(H,20,23)
InChIKeyIFDSFFJMKDWSQH-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.27
Rot. Bonds4

About N-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide

N-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 165433214) has the molecular formula C17H19F2N3OS and a molecular weight of 351.42 g/mol. Its IUPAC name is N-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
PubChem CID165433214
Molecular FormulaC17H19F2N3OS
Molecular Weight351.42 g/mol
Exact Mass351.12
IUPAC NameN-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(F)CCN(c2nc3c(F)cccc3s2)CC1)C1CC1
InChIInChI=1S/C17H19F2N3OS/c18-12-2-1-3-13-14(12)21-16(24-13)22-8-6-17(19,7-9-22)10-20-15(23)11-4-5-11/h1-3,11H,4-10H2,(H,20,23)
InChIKeyIFDSFFJMKDWSQH-UHFFFAOYSA-N
XLogP3.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432589
N-(cyclohexylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609612
N-[[1-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
CID 165433346
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 90609526
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 90609512
N-cyclopentyl-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609496
N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165433363
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 90609534
N-(2,6-dimethylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609574
N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609448
N-(4-ethylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609531
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 90609540

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide (CID 165433214) is N-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide is O=C(NCC1(F)CCN(c2nc3c(F)cccc3s2)CC1)C1CC1.
What is the InChIKey of N-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is IFDSFFJMKDWSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3OS/c18-12-2-1-3-13-14(12)21-16(24-13)22-8-6-17(19,7-9-22)10-20-15(23)11-4-5-11/h1-3,11H,4-10H2,(H,20,23).
What are the key properties of N-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide?
N-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 351.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 165433214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).