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

C14H19N5OS — CID 126887436

IUPAC2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-1-(1,3-thiazol-4-yl)ethanol
SMILESOC(CN1CCC(Nc2ccncn2)CC1)c1cscn1
InChIInChI=1S/C14H19N5OS/c20-13(12-8-21-10-17-12)7-19-5-2-11(3-6-19)18-14-1-4-15-9-16-14/h1,4,8-11,13,20H,2-3,5-7H2,(H,15,16,18)
InChIKeyJOICDJUWYYEZEU-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.54
Rot. Bonds5

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

2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-1-(1,3-thiazol-4-yl)ethanol (PubChem CID 126887436) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-1-(1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-1-(1,3-thiazol-4-yl)ethanol
PubChem CID126887436
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-1-(1,3-thiazol-4-yl)ethanol
SMILESOC(CN1CCC(Nc2ccncn2)CC1)c1cscn1
InChIInChI=1S/C14H19N5OS/c20-13(12-8-21-10-17-12)7-19-5-2-11(3-6-19)18-14-1-4-15-9-16-14/h1,4,8-11,13,20H,2-3,5-7H2,(H,15,16,18)
InChIKeyJOICDJUWYYEZEU-UHFFFAOYSA-N
XLogP1.54
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887338
N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887336
N-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887360
2-[[1-[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864202
N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887317
N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171994913
N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887356
1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 126887440
N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine
CID 57208606
1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one
CID 126887389

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-1-(1,3-thiazol-4-yl)ethanol?
The IUPAC name of 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-1-(1,3-thiazol-4-yl)ethanol (CID 126887436) is 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-1-(1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-1-(1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-1-(1,3-thiazol-4-yl)ethanol is OC(CN1CCC(Nc2ccncn2)CC1)c1cscn1.
What is the InChIKey of 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-1-(1,3-thiazol-4-yl)ethanol?
The InChIKey is JOICDJUWYYEZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c20-13(12-8-21-10-17-12)7-19-5-2-11(3-6-19)18-14-1-4-15-9-16-14/h1,4,8-11,13,20H,2-3,5-7H2,(H,15,16,18).
What are the key properties of 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-1-(1,3-thiazol-4-yl)ethanol?
2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-1-(1,3-thiazol-4-yl)ethanol has a molecular weight of 305.41 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-1-(1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 126887436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).