1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol

C23H27N5O2S — CID 67433915

IUPAC1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol
SMILESCc1cc(Nc2nccc(OC3CCNCC3)n2)cc(-c2cnc(C3(O)CCC3)s2)c1
InChIInChI=1S/C23H27N5O2S/c1-15-11-16(19-14-26-21(31-19)23(29)6-2-7-23)13-17(12-15)27-22-25-10-5-20(28-22)30-18-3-8-24-9-4-18/h5,10-14,18,24,29H,2-4,6-9H2,1H3,(H,25,27,28)
InChIKeyQXLLKTMMYWLMOS-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.15
Rot. Bonds6

About 1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol

1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol (PubChem CID 67433915) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol
PubChem CID67433915
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC Name1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol
SMILESCc1cc(Nc2nccc(OC3CCNCC3)n2)cc(-c2cnc(C3(O)CCC3)s2)c1
InChIInChI=1S/C23H27N5O2S/c1-15-11-16(19-14-26-21(31-19)23(29)6-2-7-23)13-17(12-15)27-22-25-10-5-20(28-22)30-18-3-8-24-9-4-18/h5,10-14,18,24,29H,2-4,6-9H2,1H3,(H,25,27,28)
InChIKeyQXLLKTMMYWLMOS-UHFFFAOYSA-N
XLogP4.15
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-[5-[3-methyl-5-[[4-(oxolan-3-ylmethoxy)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol
CID 67432324
4-[5-[3-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]azepan-4-ol
CID 67430566
4-[[2-[3-[2-(1-hydroxycyclobutyl)-1,3-thiazol-5-yl]-5-methylanilino]pyrimidin-4-yl]oxymethyl]-1-methylpyrrolidin-2-one
CID 70926557
(3S)-3-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]pyrrolidin-3-ol
CID 141308920
1-methyl-4-[2-[3-methyl-5-[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]anilino]pyrimidin-4-yl]oxycyclohexan-1-ol
CID 67433019
cis-(1S,4R)-4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 67431483
4-hydroxy-4-[5-[3-[[4-(3-methoxypropoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
CID 67432211
(4S)-4-[5-[3-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]azepan-4-ol
CID 67258398
1-[5-[3-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]ethanol
CID 67431807
carbonic acid;(1R)-1-[5-[3-[[4-[(1S)-1-fluoroethyl]pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]-3,3-dimethylcyclohexan-1-ol
CID 122667763
4-[5-[3-[(4-tert-butylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxycyclohexane-1-carboxamide
CID 67432392
tert-butyl (4S)-4-[5-[3-[(4-cyclopropylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxyazepane-1-carboxylate
CID 67247949

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol?
The IUPAC name of 1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol (CID 67433915) is 1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol is Cc1cc(Nc2nccc(OC3CCNCC3)n2)cc(-c2cnc(C3(O)CCC3)s2)c1.
What is the InChIKey of 1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol?
The InChIKey is QXLLKTMMYWLMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-15-11-16(19-14-26-21(31-19)23(29)6-2-7-23)13-17(12-15)27-22-25-10-5-20(28-22)30-18-3-8-24-9-4-18/h5,10-14,18,24,29H,2-4,6-9H2,1H3,(H,25,27,28).
What are the key properties of 1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol?
1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol has a molecular weight of 437.57 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol is sourced from PubChem (CID 67433915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).