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

C18H27N5OS — CID 20952029

IUPACN-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(c2nc3cccnc3s2)CC1
InChIInChI=1S/C18H27N5OS/c1-3-22(4-2)13-10-19-16(24)14-7-11-23(12-8-14)18-21-15-6-5-9-20-17(15)25-18/h5-6,9,14H,3-4,7-8,10-13H2,1-2H3,(H,19,24)
InChIKeyKHVZIIYPUVBQLU-UHFFFAOYSA-N
MW361.52 g/mol
LogP2.37
Rot. Bonds7

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

N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 20952029) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
PubChem CID20952029
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC NameN-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(c2nc3cccnc3s2)CC1
InChIInChI=1S/C18H27N5OS/c1-3-22(4-2)13-10-19-16(24)14-7-11-23(12-8-14)18-21-15-6-5-9-20-17(15)25-18/h5-6,9,14H,3-4,7-8,10-13H2,1-2H3,(H,19,24)
InChIKeyKHVZIIYPUVBQLU-UHFFFAOYSA-N
XLogP2.37
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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-[2-[cyclohexyl(methyl)amino]ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952090
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952073
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
N-[2-(3,4-diethoxyphenyl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952055
N-[(4-fluorophenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952038
(3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92765070
N-[3-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 92735084
N-[3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 92735083
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952057

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (CID 20952029) is N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is CCN(CC)CCNC(=O)C1CCN(c2nc3cccnc3s2)CC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The InChIKey is KHVZIIYPUVBQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-3-22(4-2)13-10-19-16(24)14-7-11-23(12-8-14)18-21-15-6-5-9-20-17(15)25-18/h5-6,9,14H,3-4,7-8,10-13H2,1-2H3,(H,19,24).
What are the key properties of N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 361.52 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20952029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).