1-[5-[3-methyl-5-[[4-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol

C24H26N6O2S — CID 67248821

IUPAC1-[5-[3-methyl-5-[[4-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol
SMILESCc1cc(Nc2nccc(OCCc3cnn(C)c3)n2)cc(-c2cnc(C3(O)CCC3)s2)c1
InChIInChI=1S/C24H26N6O2S/c1-16-10-18(20-14-26-22(33-20)24(31)6-3-7-24)12-19(11-16)28-23-25-8-4-21(29-23)32-9-5-17-13-27-30(2)15-17/h4,8,10-15,31H,3,5-7,9H2,1-2H3,(H,25,28,29)
InChIKeyCHHWLJMVIMSPQL-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.38
Rot. Bonds8

About 1-[5-[3-methyl-5-[[4-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol

1-[5-[3-methyl-5-[[4-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol (PubChem CID 67248821) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is 1-[5-[3-methyl-5-[[4-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[5-[3-methyl-5-[[4-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol
PubChem CID67248821
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC Name1-[5-[3-methyl-5-[[4-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol
SMILESCc1cc(Nc2nccc(OCCc3cnn(C)c3)n2)cc(-c2cnc(C3(O)CCC3)s2)c1
InChIInChI=1S/C24H26N6O2S/c1-16-10-18(20-14-26-22(33-20)24(31)6-3-7-24)12-19(11-16)28-23-25-8-4-21(29-23)32-9-5-17-13-27-30(2)15-17/h4,8,10-15,31H,3,5-7,9H2,1-2H3,(H,25,28,29)
InChIKeyCHHWLJMVIMSPQL-UHFFFAOYSA-N
XLogP4.38
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

US8759366, 2-(5-{3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-5-methylphenyl}-1,3-thiazol-2-yl)propane-1,2-dial
CID 67432076
4-{[2-({3-Methyl-5-[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl}amino)pyrimidin-4-yl]oxy}cyclohexanol
CID 58456384
1,1,1-Trifluoro-2-[5-[3-[[4-(3-fluoropiperidin-4-yl)oxypyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol
CID 67249534
1,1,1-Trifluoro-2-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol
CID 67249640
1,1,1-trifluoro-2-[5-[3-methyl-5-[[4-[(3R)-pyrrolidin-3-yl]oxypyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol
CID 67257707
1,1,1-trifluoro-2-[5-[3-methyl-5-[[4-[(3S)-pyrrolidin-3-yl]oxypyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol
CID 67259097
1,1,1-Trifluoro-2-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]propan-2-ol
CID 67262059
2-[5-(3-{[4-(Benzyloxy)pyrimidin-2-yl]-amino}-5-methylphenyl)-1,3-thiazol-2-yl]-1,1,1-trifluoropropan-2-ol
CID 67430329
2-(5-{3-[(4-{[4-(Benzyloxy)cyclohexyl]oxy}pyrimidin-2-yl)amino]-5-methylphenyl}-1,3-thiazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 67430445
3-[5-[3-[(5-Fluoro-4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 67430456
2-{[2-({3-Methyl-5-[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]phenyl}amino)pyrimidin-4-yl]oxy}acetamide
CID 67430966
1-[5-[3-Amino-5-[[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol
CID 67431508

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-methyl-5-[[4-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol?
The IUPAC name of 1-[5-[3-methyl-5-[[4-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol (CID 67248821) is 1-[5-[3-methyl-5-[[4-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[5-[3-methyl-5-[[4-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[5-[3-methyl-5-[[4-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol is Cc1cc(Nc2nccc(OCCc3cnn(C)c3)n2)cc(-c2cnc(C3(O)CCC3)s2)c1.
What is the InChIKey of 1-[5-[3-methyl-5-[[4-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol?
The InChIKey is CHHWLJMVIMSPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-16-10-18(20-14-26-22(33-20)24(31)6-3-7-24)12-19(11-16)28-23-25-8-4-21(29-23)32-9-5-17-13-27-30(2)15-17/h4,8,10-15,31H,3,5-7,9H2,1-2H3,(H,25,28,29).
What are the key properties of 1-[5-[3-methyl-5-[[4-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol?
1-[5-[3-methyl-5-[[4-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol has a molecular weight of 462.58 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-methyl-5-[[4-[2-(1-methylpyrazol-4-yl)ethoxy]pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol is sourced from PubChem (CID 67248821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).