(3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

C18H17BrN4OS — CID 93068920

IUPAC(3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(c2nc3cccnc3s2)C1
InChIInChI=1S/C18H17BrN4OS/c19-13-5-7-14(8-6-13)21-16(24)12-3-2-10-23(11-12)18-22-15-4-1-9-20-17(15)25-18/h1,4-9,12H,2-3,10-11H2,(H,21,24)/t12-/m1/s1
InChIKeyCTQXKPQMAXQMSZ-GFCCVEGCSA-N
MW417.33 g/mol
LogP4.31
Rot. Bonds3

About (3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

(3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide (PubChem CID 93068920) has the molecular formula C18H17BrN4OS and a molecular weight of 417.33 g/mol. Its IUPAC name is (3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
PubChem CID93068920
Molecular FormulaC18H17BrN4OS
Molecular Weight417.33 g/mol
Exact Mass416.03
IUPAC Name(3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(c2nc3cccnc3s2)C1
InChIInChI=1S/C18H17BrN4OS/c19-13-5-7-14(8-6-13)21-16(24)12-3-2-10-23(11-12)18-22-15-4-1-9-20-17(15)25-18/h1,4-9,12H,2-3,10-11H2,(H,21,24)/t12-/m1/s1
InChIKeyCTQXKPQMAXQMSZ-GFCCVEGCSA-N
XLogP4.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068908
(3S)-N-(3-fluoro-4-methylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 95117314
N-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 53007595
N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 50793221
(3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92891762
N-[3-[(3,5-dimethylphenyl)carbamoyl]phenyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 50843523
(3R)-N-(4-chloro-2-methylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 95117277
N-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 20952197
(3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92765070
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone
CID 20952135
(3S)-N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92708784
N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 20952150

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide (CID 93068920) is (3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide is O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(c2nc3cccnc3s2)C1.
What is the InChIKey of (3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The InChIKey is CTQXKPQMAXQMSZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17BrN4OS/c19-13-5-7-14(8-6-13)21-16(24)12-3-2-10-23(11-12)18-22-15-4-1-9-20-17(15)25-18/h1,4-9,12H,2-3,10-11H2,(H,21,24)/t12-/m1/s1.
What are the key properties of (3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
(3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide has a molecular weight of 417.33 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 93068920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).