(3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol

C16H23N5OS — CID 95823903

IUPAC(3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol
SMILESC[C@H](CCO)N1CCC(c2csc(Nc3cnccn3)n2)CC1
InChIInChI=1S/C16H23N5OS/c1-12(4-9-22)21-7-2-13(3-8-21)14-11-23-16(19-14)20-15-10-17-5-6-18-15/h5-6,10-13,22H,2-4,7-9H2,1H3,(H,18,19,20)/t12-/m1/s1
InChIKeyXUFKYDLIXXOOHH-GFCCVEGCSA-N
MW333.46 g/mol
LogP2.63
Rot. Bonds6

About (3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol

(3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol (PubChem CID 95823903) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is (3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol
PubChem CID95823903
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name(3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol
SMILESC[C@H](CCO)N1CCC(c2csc(Nc3cnccn3)n2)CC1
InChIInChI=1S/C16H23N5OS/c1-12(4-9-22)21-7-2-13(3-8-21)14-11-23-16(19-14)20-15-10-17-5-6-18-15/h5-6,10-13,22H,2-4,7-9H2,1H3,(H,18,19,20)/t12-/m1/s1
InChIKeyXUFKYDLIXXOOHH-GFCCVEGCSA-N
XLogP2.63
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol with MolForge

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Related Compounds

2-methyl-1-[(3S)-3-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propan-1-one
CID 95823746
4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine
CID 95823699
2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol
CID 95823889
2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 118740364
3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid
CID 110270511
(3S)-3-[4-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]butan-1-ol
CID 124940651
2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol
CID 95827934
2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol
CID 110094417
1-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]ethanone
CID 143665651
4-(1-pyrazin-2-ylpyrrolidin-2-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 110270514
5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086335
2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110093931

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol?
The IUPAC name of (3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol (CID 95823903) is (3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol.
What is the SMILES notation for (3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol?
The canonical SMILES for (3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol is C[C@H](CCO)N1CCC(c2csc(Nc3cnccn3)n2)CC1.
What is the InChIKey of (3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol?
The InChIKey is XUFKYDLIXXOOHH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-12(4-9-22)21-7-2-13(3-8-21)14-11-23-16(19-14)20-15-10-17-5-6-18-15/h5-6,10-13,22H,2-4,7-9H2,1H3,(H,18,19,20)/t12-/m1/s1.
What are the key properties of (3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol?
(3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol has a molecular weight of 333.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 95823903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).