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

C20H22N4O3S — CID 53007595

IUPACN-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN(c3nc4cccnc4s3)C2)cc(OC)c1
InChIInChI=1S/C20H22N4O3S/c1-26-15-9-14(10-16(11-15)27-2)22-18(25)13-5-4-8-24(12-13)20-23-17-6-3-7-21-19(17)28-20/h3,6-7,9-11,13H,4-5,8,12H2,1-2H3,(H,22,25)
InChIKeyQOEXMFWFQAUAJO-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.56
Rot. Bonds5

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

N-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide (PubChem CID 53007595) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
PubChem CID53007595
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN(c3nc4cccnc4s3)C2)cc(OC)c1
InChIInChI=1S/C20H22N4O3S/c1-26-15-9-14(10-16(11-15)27-2)22-18(25)13-5-4-8-24(12-13)20-23-17-6-3-7-21-19(17)28-20/h3,6-7,9-11,13H,4-5,8,12H2,1-2H3,(H,22,25)
InChIKeyQOEXMFWFQAUAJO-UHFFFAOYSA-N
XLogP3.56
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068920
(3R)-N-[(4-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 95117289
(3S)-N-(3-fluoro-4-methylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 95117314
N-[3-[(3,5-dimethylphenyl)carbamoyl]phenyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 50843523
(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-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068918
(3R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 95117345
(3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92891762
N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 50793221
(3R)-N-(4-chloro-2-methylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 95117277
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-pyridin-3-ylpiperidine-3-carboxamide
CID 71802535
N-[(5-bromo-2-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 20952197

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide (CID 53007595) is N-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide is COc1cc(NC(=O)C2CCCN(c3nc4cccnc4s3)C2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The InChIKey is QOEXMFWFQAUAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-26-15-9-14(10-16(11-15)27-2)22-18(25)13-5-4-8-24(12-13)20-23-17-6-3-7-21-19(17)28-20/h3,6-7,9-11,13H,4-5,8,12H2,1-2H3,(H,22,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
N-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53007595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).