N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide

C17H20N8O2S — CID 175655896

IUPACN-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide
SMILESCc1nonc1NC(=O)CN1CCCCC1c1csc(Nc2ncccn2)n1
InChIInChI=1S/C17H20N8O2S/c1-11-15(24-27-23-11)21-14(26)9-25-8-3-2-5-13(25)12-10-28-17(20-12)22-16-18-6-4-7-19-16/h4,6-7,10,13H,2-3,5,8-9H2,1H3,(H,21,24,26)(H,18,19,20,22)
InChIKeyQKKFNQVATOSOTK-UHFFFAOYSA-N
MW400.47 g/mol
LogP2.53
Rot. Bonds6

About N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide

N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide (PubChem CID 175655896) has the molecular formula C17H20N8O2S and a molecular weight of 400.47 g/mol. Its IUPAC name is N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide
PubChem CID175655896
Molecular FormulaC17H20N8O2S
Molecular Weight400.47 g/mol
Exact Mass400.14
IUPAC NameN-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide
SMILESCc1nonc1NC(=O)CN1CCCCC1c1csc(Nc2ncccn2)n1
InChIInChI=1S/C17H20N8O2S/c1-11-15(24-27-23-11)21-14(26)9-25-8-3-2-5-13(25)12-10-28-17(20-12)22-16-18-6-4-7-19-16/h4,6-7,10,13H,2-3,5,8-9H2,1H3,(H,21,24,26)(H,18,19,20,22)
InChIKeyQKKFNQVATOSOTK-UHFFFAOYSA-N
XLogP2.53
TPSA121.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-methyl-2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 175655316
4-[(2S)-1-methylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 124993584
4-[(2R)-1-propan-2-ylpiperidin-2-yl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 124976453
2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 110270492
2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide
CID 155985678
2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 97008723
N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093855
2-methyl-6-[(2R)-1-(oxan-4-ylmethyl)piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 124997630
2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 118740364
ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 78915205
1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110270541
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 60690531

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide (CID 175655896) is N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide is Cc1nonc1NC(=O)CN1CCCCC1c1csc(Nc2ncccn2)n1.
What is the InChIKey of N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide?
The InChIKey is QKKFNQVATOSOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2S/c1-11-15(24-27-23-11)21-14(26)9-25-8-3-2-5-13(25)12-10-28-17(20-12)22-16-18-6-4-7-19-16/h4,6-7,10,13H,2-3,5,8-9H2,1H3,(H,21,24,26)(H,18,19,20,22).
What are the key properties of N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide?
N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide has a molecular weight of 400.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 175655896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).