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

C24H29N7O2S — CID 67432115

IUPAC[1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutyl]urea
SMILESCc1cc(Nc2nccc(OC3CCNCC3)n2)cc(-c2cnc(C3(NC(N)=O)CCC3)s2)c1
InChIInChI=1S/C24H29N7O2S/c1-15-11-16(19-14-28-21(34-19)24(6-2-7-24)31-22(25)32)13-17(12-15)29-23-27-10-5-20(30-23)33-18-3-8-26-9-4-18/h5,10-14,18,26H,2-4,6-9H2,1H3,(H3,25,31,32)(H,27,29,30)
InChIKeyJATRSFQKNRRTDQ-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.83
Rot. Bonds7

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

[1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutyl]urea (PubChem CID 67432115) has the molecular formula C24H29N7O2S and a molecular weight of 479.61 g/mol. Its IUPAC name is [1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutyl]urea.

Molecular Properties

Compound Name[1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutyl]urea
PubChem CID67432115
Molecular FormulaC24H29N7O2S
Molecular Weight479.61 g/mol
Exact Mass479.21
IUPAC Name[1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutyl]urea
SMILESCc1cc(Nc2nccc(OC3CCNCC3)n2)cc(-c2cnc(C3(NC(N)=O)CCC3)s2)c1
InChIInChI=1S/C24H29N7O2S/c1-15-11-16(19-14-28-21(34-19)24(6-2-7-24)31-22(25)32)13-17(12-15)29-23-27-10-5-20(30-23)33-18-3-8-26-9-4-18/h5,10-14,18,26H,2-4,6-9H2,1H3,(H3,25,31,32)(H,27,29,30)
InChIKeyJATRSFQKNRRTDQ-UHFFFAOYSA-N
XLogP3.83
TPSA127.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze [1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]cyclobutyl]urea?
The IUPAC name of [1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutyl]urea (CID 67432115) is [1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutyl]urea.
What is the SMILES notation for [1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutyl]urea?
The canonical SMILES for [1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutyl]urea is Cc1cc(Nc2nccc(OC3CCNCC3)n2)cc(-c2cnc(C3(NC(N)=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]cyclobutyl]urea?
The InChIKey is JATRSFQKNRRTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2S/c1-15-11-16(19-14-28-21(34-19)24(6-2-7-24)31-22(25)32)13-17(12-15)29-23-27-10-5-20(30-23)33-18-3-8-26-9-4-18/h5,10-14,18,26H,2-4,6-9H2,1H3,(H3,25,31,32)(H,27,29,30).
What are the key properties of [1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutyl]urea?
[1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutyl]urea has a molecular weight of 479.61 g/mol, XLogP of 3.83, 7 rotatable bonds, 4 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]cyclobutyl]urea is sourced from PubChem (CID 67432115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).