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

C21H26N6OS — CID 53187286

IUPACN-pentan-3-yl-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(c2nc3ccc(-c4cncnc4)nc3s2)CC1
InChIInChI=1S/C21H26N6OS/c1-3-16(4-2)24-19(28)14-7-9-27(10-8-14)21-26-18-6-5-17(25-20(18)29-21)15-11-22-13-23-12-15/h5-6,11-14,16H,3-4,7-10H2,1-2H3,(H,24,28)
InChIKeyCWVPAGSGNZRJGI-UHFFFAOYSA-N
MW410.55 g/mol
LogP3.67
Rot. Bonds6

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

N-pentan-3-yl-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (PubChem CID 53187286) has the molecular formula C21H26N6OS and a molecular weight of 410.55 g/mol. Its IUPAC name is N-pentan-3-yl-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-pentan-3-yl-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
PubChem CID53187286
Molecular FormulaC21H26N6OS
Molecular Weight410.55 g/mol
Exact Mass410.19
IUPAC NameN-pentan-3-yl-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(c2nc3ccc(-c4cncnc4)nc3s2)CC1
InChIInChI=1S/C21H26N6OS/c1-3-16(4-2)24-19(28)14-7-9-27(10-8-14)21-26-18-6-5-17(25-20(18)29-21)15-11-22-13-23-12-15/h5-6,11-14,16H,3-4,7-10H2,1-2H3,(H,24,28)
InChIKeyCWVPAGSGNZRJGI-UHFFFAOYSA-N
XLogP3.67
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187296
N-(pyridin-3-ylmethyl)-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187293
N-ethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
CID 53187270
1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide
CID 53187197
N-[3-(dimethylamino)propyl]-1-(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187253
N-[2-(dimethylamino)ethyl]-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
CID 53187277
piperidin-1-yl-[1-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 53187334
N,N-diethyl-1-[5-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]piperidine-4-carboxamide
CID 53187274
N,N-dimethyl-1-(5-thiophen-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187352
N-(furan-2-ylmethyl)-1-(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 53187362
(4-methylpiperazin-1-yl)-[1-(5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 53187374
1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 17152735

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-pentan-3-yl-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide (CID 53187286) is N-pentan-3-yl-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-pentan-3-yl-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-pentan-3-yl-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is CCC(CC)NC(=O)C1CCN(c2nc3ccc(-c4cncnc4)nc3s2)CC1.
What is the InChIKey of N-pentan-3-yl-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
The InChIKey is CWVPAGSGNZRJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6OS/c1-3-16(4-2)24-19(28)14-7-9-27(10-8-14)21-26-18-6-5-17(25-20(18)29-21)15-11-22-13-23-12-15/h5-6,11-14,16H,3-4,7-10H2,1-2H3,(H,24,28).
What are the key properties of N-pentan-3-yl-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide?
N-pentan-3-yl-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide has a molecular weight of 410.55 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-1-(5-pyrimidin-5-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53187286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).