1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone

C14H17N5OS — CID 110267168

IUPAC1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1c1ccnc(Nc2nccs2)n1
InChIInChI=1S/C14H17N5OS/c1-10(20)19-8-3-2-4-12(19)11-5-6-15-13(17-11)18-14-16-7-9-21-14/h5-7,9,12H,2-4,8H2,1H3,(H,15,16,17,18)
InChIKeyIBPSPKVGXFQOOI-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.75
Rot. Bonds3

About 1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone

1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 110267168) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID110267168
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1c1ccnc(Nc2nccs2)n1
InChIInChI=1S/C14H17N5OS/c1-10(20)19-8-3-2-4-12(19)11-5-6-15-13(17-11)18-14-16-7-9-21-14/h5-7,9,12H,2-4,8H2,1H3,(H,15,16,17,18)
InChIKeyIBPSPKVGXFQOOI-UHFFFAOYSA-N
XLogP2.75
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-methylpiperidin-2-yl)pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 155983128
N-[4-[1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 110267234
N-[4-[(2S)-1-(pyridin-4-ylmethyl)piperidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 95837562
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820412
cyclohexyl-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 155985160
N-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 95837680
2-(methylamino)-1-[(2R)-2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95842847
1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95730771
cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110267387
2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride
CID 171687472
2-(dimethylamino)-1-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835392
(5aS,9aR)-N-(1,3-thiazol-2-yl)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxamide
CID 97255258

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 110267168) is 1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCCC1c1ccnc(Nc2nccs2)n1.
What is the InChIKey of 1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is IBPSPKVGXFQOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-10(20)19-8-3-2-4-12(19)11-5-6-15-13(17-11)18-14-16-7-9-21-14/h5-7,9,12H,2-4,8H2,1H3,(H,15,16,17,18).
What are the key properties of 1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 303.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110267168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).