2-piperidin-1-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

C19H20N6OS — CID 57428353

IUPAC2-piperidin-1-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESO=C(CN1CCCCC1)Nc1cc(-c2nccs2)nc(-c2ccccn2)n1
InChIInChI=1S/C19H20N6OS/c26-17(13-25-9-4-1-5-10-25)23-16-12-15(19-21-8-11-27-19)22-18(24-16)14-6-2-3-7-20-14/h2-3,6-8,11-12H,1,4-5,9-10,13H2,(H,22,23,24,26)
InChIKeyIXUSZODKMMBSQD-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.09
Rot. Bonds5

About 2-piperidin-1-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

2-piperidin-1-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (PubChem CID 57428353) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-piperidin-1-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
PubChem CID57428353
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name2-piperidin-1-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESO=C(CN1CCCCC1)Nc1cc(-c2nccs2)nc(-c2ccccn2)n1
InChIInChI=1S/C19H20N6OS/c26-17(13-25-9-4-1-5-10-25)23-16-12-15(19-21-8-11-27-19)22-18(24-16)14-6-2-3-7-20-14/h2-3,6-8,11-12H,1,4-5,9-10,13H2,(H,22,23,24,26)
InChIKeyIXUSZODKMMBSQD-UHFFFAOYSA-N
XLogP3.09
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[6-(pyridin-2-yl)-2-(thiophen-2-yl)pyrimidin-4-yl]acetamide
CID 24768405
2-[4-(5-fluoropyridin-2-yl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71601847
N-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126534285
(S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-6-(4-methylpiperazin-1-yl)-N4-(5-methylthiazol-2-yl)pyrimidine-2,4-diamine
CID 25104740
1-(4-(4-(4-(2,4-Dimethylthiazol-5-yl)pyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone
CID 10024433
1-[6-(4-Methylpiperazin-1-yl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 10294111
1-(4-(4-(4-(4-Methyl-2-(methylamino)thiazol-5-yl)pyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone
CID 10320107
N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide
CID 11515445
2-methyl-N-(6-methyl-2-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 11558879
1-[4-[3-[[4-[4-Methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 11575426
2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide
CID 11595030
1-[4-[2-[[5-(6-Methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 15978894

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-piperidin-1-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (CID 57428353) is 2-piperidin-1-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-piperidin-1-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-piperidin-1-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is O=C(CN1CCCCC1)Nc1cc(-c2nccs2)nc(-c2ccccn2)n1.
What is the InChIKey of 2-piperidin-1-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The InChIKey is IXUSZODKMMBSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c26-17(13-25-9-4-1-5-10-25)23-16-12-15(19-21-8-11-27-19)22-18(24-16)14-6-2-3-7-20-14/h2-3,6-8,11-12H,1,4-5,9-10,13H2,(H,22,23,24,26).
What are the key properties of 2-piperidin-1-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
2-piperidin-1-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide has a molecular weight of 380.48 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 57428353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).