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

C20H29N5OS — CID 20952073

IUPACN-[2-(2-methylpiperidin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCC1CCCCN1CCNC(=O)C1CCN(c2nc3cccnc3s2)CC1
InChIInChI=1S/C20H29N5OS/c1-15-5-2-3-11-24(15)14-10-21-18(26)16-7-12-25(13-8-16)20-23-17-6-4-9-22-19(17)27-20/h4,6,9,15-16H,2-3,5,7-8,10-14H2,1H3,(H,21,26)
InChIKeyWONQOBIIXRHALJ-UHFFFAOYSA-N
MW387.55 g/mol
LogP2.90
Rot. Bonds5

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

N-[2-(2-methylpiperidin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 20952073) has the molecular formula C20H29N5OS and a molecular weight of 387.55 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
PubChem CID20952073
Molecular FormulaC20H29N5OS
Molecular Weight387.55 g/mol
Exact Mass387.21
IUPAC NameN-[2-(2-methylpiperidin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCC1CCCCN1CCNC(=O)C1CCN(c2nc3cccnc3s2)CC1
InChIInChI=1S/C20H29N5OS/c1-15-5-2-3-11-24(15)14-10-21-18(26)16-7-12-25(13-8-16)20-23-17-6-4-9-22-19(17)27-20/h4,6,9,15-16H,2-3,5,7-8,10-14H2,1H3,(H,21,26)
InChIKeyWONQOBIIXRHALJ-UHFFFAOYSA-N
XLogP2.90
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952029
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952090
N-(2-morpholin-4-ylethyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952050
N-(3-phenylpropyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952026
(3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92765070
(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
N-[(4-fluorophenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952038
N-[2-(3,4-diethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952055
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5309306
1-(1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide
CID 90609276
N-[2-(2-methylphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 20952200

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (CID 20952073) is N-[2-(2-methylpiperidin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is CC1CCCCN1CCNC(=O)C1CCN(c2nc3cccnc3s2)CC1.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The InChIKey is WONQOBIIXRHALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5OS/c1-15-5-2-3-11-24(15)14-10-21-18(26)16-7-12-25(13-8-16)20-23-17-6-4-9-22-19(17)27-20/h4,6,9,15-16H,2-3,5,7-8,10-14H2,1H3,(H,21,26).
What are the key properties of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 387.55 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20952073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).