N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide

C18H22N6O2S — CID 154568639

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
SMILESNc1nc(CCNC(=O)CC2CCCN(c3nc4ncccc4o3)C2)cs1
InChIInChI=1S/C18H22N6O2S/c19-17-22-13(11-27-17)5-7-20-15(25)9-12-3-2-8-24(10-12)18-23-16-14(26-18)4-1-6-21-16/h1,4,6,11-12H,2-3,5,7-10H2,(H2,19,22)(H,20,25)
InChIKeyXRALVGYABMQOOF-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.23
Rot. Bonds6

About N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide (PubChem CID 154568639) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
PubChem CID154568639
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
SMILESNc1nc(CCNC(=O)CC2CCCN(c3nc4ncccc4o3)C2)cs1
InChIInChI=1S/C18H22N6O2S/c19-17-22-13(11-27-17)5-7-20-15(25)9-12-3-2-8-24(10-12)18-23-16-14(26-18)4-1-6-21-16/h1,4,6,11-12H,2-3,5,7-10H2,(H2,19,22)(H,20,25)
InChIKeyXRALVGYABMQOOF-UHFFFAOYSA-N
XLogP2.23
TPSA110.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 154823410
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 155503397
ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate
CID 154564373
N-[2-(4-methyltriazol-1-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 155498550
N-[(1-methylimidazol-2-yl)methyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 154566401
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone
CID 154564115
2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone
CID 155508879
N-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide
CID 134792125
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 134794435
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 155505666
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 134791749
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidin-3-amine
CID 43831644

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide (CID 154568639) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide is Nc1nc(CCNC(=O)CC2CCCN(c3nc4ncccc4o3)C2)cs1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide?
The InChIKey is XRALVGYABMQOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c19-17-22-13(11-27-17)5-7-20-15(25)9-12-3-2-8-24(10-12)18-23-16-14(26-18)4-1-6-21-16/h1,4,6,11-12H,2-3,5,7-10H2,(H2,19,22)(H,20,25).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide has a molecular weight of 386.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 154568639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).