(2R)-3-[(3R)-3-[[4-[6-(3-hydroxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol

C23H28N6O3S — CID 71159642

IUPAC(2R)-3-[(3R)-3-[[4-[6-(3-hydroxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol
SMILESOC[C@H](O)CN1CCC[C@@H](Nc2nccc(-c3c(-c4cccc(O)c4)nc4n3CCS4)n2)C1
InChIInChI=1S/C23H28N6O3S/c30-14-18(32)13-28-8-2-4-16(12-28)25-22-24-7-6-19(26-22)21-20(15-3-1-5-17(31)11-15)27-23-29(21)9-10-33-23/h1,3,5-7,11,16,18,30-32H,2,4,8-10,12-14H2,(H,24,25,26)/t16-,18-/m1/s1
InChIKeyYCWJLGUKKMFHSD-SJLPKXTDSA-N
MW468.58 g/mol
LogP2.05
Rot. Bonds7

About (2R)-3-[(3R)-3-[[4-[6-(3-hydroxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol

(2R)-3-[(3R)-3-[[4-[6-(3-hydroxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol (PubChem CID 71159642) has the molecular formula C23H28N6O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is (2R)-3-[(3R)-3-[[4-[6-(3-hydroxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(3R)-3-[[4-[6-(3-hydroxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol
PubChem CID71159642
Molecular FormulaC23H28N6O3S
Molecular Weight468.58 g/mol
Exact Mass468.19
IUPAC Name(2R)-3-[(3R)-3-[[4-[6-(3-hydroxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol
SMILESOC[C@H](O)CN1CCC[C@@H](Nc2nccc(-c3c(-c4cccc(O)c4)nc4n3CCS4)n2)C1
InChIInChI=1S/C23H28N6O3S/c30-14-18(32)13-28-8-2-4-16(12-28)25-22-24-7-6-19(26-22)21-20(15-3-1-5-17(31)11-15)27-23-29(21)9-10-33-23/h1,3,5-7,11,16,18,30-32H,2,4,8-10,12-14H2,(H,24,25,26)/t16-,18-/m1/s1
InChIKeyYCWJLGUKKMFHSD-SJLPKXTDSA-N
XLogP2.05
TPSA119.56 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (2R)-3-[(3R)-3-[[4-[6-(3-hydroxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol with MolForge

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

Launch Full Analysis

Related Compounds

3-[5-[2-[[(3R)-1-methylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 71159632
4-[6-(3-aminophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-N-(4-cyclohexylphenyl)pyrimidin-2-amine
CID 118341947
3-[5-[2-[[(3R)-1-(3-hydroxyphenyl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 24759700
3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol
CID 23086371
N-[3-[5-[2-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)anilino]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-phenylacetamide
CID 118341859
(2S,3R,4R)-5-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2,3-dimethylpentane-1,4-diol
CID 142906400
N-[3-[5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-phenylacetamide
CID 118341949
N-[3-[5-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]pyridine-2-carboxamide
CID 118341938
N-[3-[5-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)anilino]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-phenylacetamide
CID 118341845
N-[3-[5-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 118341913
3-[5-[2-[2-(phenoxymethyl)morpholin-4-yl]pyrimidin-4-yl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]aniline
CID 118341924
3-[5-[2-[2-(5-methyl-1,2,5-thiadiazolidin-2-yl)ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenol
CID 142741768

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(3R)-3-[[4-[6-(3-hydroxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol?
The IUPAC name of (2R)-3-[(3R)-3-[[4-[6-(3-hydroxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol (CID 71159642) is (2R)-3-[(3R)-3-[[4-[6-(3-hydroxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(3R)-3-[[4-[6-(3-hydroxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(3R)-3-[[4-[6-(3-hydroxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol is OC[C@H](O)CN1CCC[C@@H](Nc2nccc(-c3c(-c4cccc(O)c4)nc4n3CCS4)n2)C1.
What is the InChIKey of (2R)-3-[(3R)-3-[[4-[6-(3-hydroxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol?
The InChIKey is YCWJLGUKKMFHSD-SJLPKXTDSA-N. The full InChI is InChI=1S/C23H28N6O3S/c30-14-18(32)13-28-8-2-4-16(12-28)25-22-24-7-6-19(26-22)21-20(15-3-1-5-17(31)11-15)27-23-29(21)9-10-33-23/h1,3,5-7,11,16,18,30-32H,2,4,8-10,12-14H2,(H,24,25,26)/t16-,18-/m1/s1.
What are the key properties of (2R)-3-[(3R)-3-[[4-[6-(3-hydroxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol?
(2R)-3-[(3R)-3-[[4-[6-(3-hydroxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol has a molecular weight of 468.58 g/mol, XLogP of 2.05, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(3R)-3-[[4-[6-(3-hydroxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propane-1,2-diol is sourced from PubChem (CID 71159642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).