1-(4-chlorophenoxy)-3-[4-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol

C30H31ClN6O3S — CID 57433758

IUPAC1-(4-chlorophenoxy)-3-[4-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol
SMILESCOc1cccc(-c2nc3sccn3c2-c2ccnc(NC3CCN(CC(O)COc4ccc(Cl)cc4)CC3)n2)c1
InChIInChI=1S/C30H31ClN6O3S/c1-39-25-4-2-3-20(17-25)27-28(37-15-16-41-30(37)35-27)26-9-12-32-29(34-26)33-22-10-13-36(14-11-22)18-23(38)19-40-24-7-5-21(31)6-8-24/h2-9,12,15-17,22-23,38H,10-11,13-14,18-19H2,1H3,(H,32,33,34)
InChIKeyHGBVRPKJIACBCW-UHFFFAOYSA-N
MW591.14 g/mol
LogP5.50
Rot. Bonds10

About 1-(4-chlorophenoxy)-3-[4-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol

1-(4-chlorophenoxy)-3-[4-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol (PubChem CID 57433758) has the molecular formula C30H31ClN6O3S and a molecular weight of 591.14 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-[4-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-[4-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol
PubChem CID57433758
Molecular FormulaC30H31ClN6O3S
Molecular Weight591.14 g/mol
Exact Mass590.19
IUPAC Name1-(4-chlorophenoxy)-3-[4-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol
SMILESCOc1cccc(-c2nc3sccn3c2-c2ccnc(NC3CCN(CC(O)COc4ccc(Cl)cc4)CC3)n2)c1
InChIInChI=1S/C30H31ClN6O3S/c1-39-25-4-2-3-20(17-25)27-28(37-15-16-41-30(37)35-27)26-9-12-32-29(34-26)33-22-10-13-36(14-11-22)18-23(38)19-40-24-7-5-21(31)6-8-24/h2-9,12,15-17,22-23,38H,10-11,13-14,18-19H2,1H3,(H,32,33,34)
InChIKeyHGBVRPKJIACBCW-UHFFFAOYSA-N
XLogP5.50
TPSA97.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.14
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-(4-chlorophenoxy)-3-[4-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol 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-(4-chlorophenoxy)-3-[4-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-[4-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol (CID 57433758) is 1-(4-chlorophenoxy)-3-[4-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-[4-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-[4-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol is COc1cccc(-c2nc3sccn3c2-c2ccnc(NC3CCN(CC(O)COc4ccc(Cl)cc4)CC3)n2)c1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-[4-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol?
The InChIKey is HGBVRPKJIACBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN6O3S/c1-39-25-4-2-3-20(17-25)27-28(37-15-16-41-30(37)35-27)26-9-12-32-29(34-26)33-22-10-13-36(14-11-22)18-23(38)19-40-24-7-5-21(31)6-8-24/h2-9,12,15-17,22-23,38H,10-11,13-14,18-19H2,1H3,(H,32,33,34).
What are the key properties of 1-(4-chlorophenoxy)-3-[4-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol?
1-(4-chlorophenoxy)-3-[4-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol has a molecular weight of 591.14 g/mol, XLogP of 5.50, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-[4-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 57433758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).