(3R)-1-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide

C20H23FN4O2S — CID 97262656

IUPAC(3R)-1-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide
SMILESCN1CCc2nc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)sc2C1
InChIInChI=1S/C20H23FN4O2S/c1-24-10-8-16-17(12-24)28-20(22-16)23-18(26)14-3-2-9-25(11-14)19(27)13-4-6-15(21)7-5-13/h4-7,14H,2-3,8-12H2,1H3,(H,22,23,26)/t14-/m1/s1
InChIKeyVTCFXDJJQVKKDX-CQSZACIVSA-N
MW402.50 g/mol
LogP2.76
Rot. Bonds3

About (3R)-1-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide

(3R)-1-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide (PubChem CID 97262656) has the molecular formula C20H23FN4O2S and a molecular weight of 402.50 g/mol. Its IUPAC name is (3R)-1-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide
PubChem CID97262656
Molecular FormulaC20H23FN4O2S
Molecular Weight402.50 g/mol
Exact Mass402.15
IUPAC Name(3R)-1-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide
SMILESCN1CCc2nc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)sc2C1
InChIInChI=1S/C20H23FN4O2S/c1-24-10-8-16-17(12-24)28-20(22-16)23-18(26)14-3-2-9-25(11-14)19(27)13-4-6-15(21)7-5-13/h4-7,14H,2-3,8-12H2,1H3,(H,22,23,26)/t14-/m1/s1
InChIKeyVTCFXDJJQVKKDX-CQSZACIVSA-N
XLogP2.76
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(4-chlorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide
CID 31245852
1-(4-fluorobenzoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 18103517
N-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526003
(3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 29370440
4-(4-fluorophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 17457003
N-[5-(4-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531120
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18275497
(3S)-1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94858021
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-oxo-2-piperidin-1-ylacetamide
CID 108517269
(3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 40792019
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide (CID 97262656) is (3R)-1-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide is CN1CCc2nc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)sc2C1.
What is the InChIKey of (3R)-1-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide?
The InChIKey is VTCFXDJJQVKKDX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23FN4O2S/c1-24-10-8-16-17(12-24)28-20(22-16)23-18(26)14-3-2-9-25(11-14)19(27)13-4-6-15(21)7-5-13/h4-7,14H,2-3,8-12H2,1H3,(H,22,23,26)/t14-/m1/s1.
What are the key properties of (3R)-1-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide?
(3R)-1-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97262656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).