2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,3-diol

C18H16FN5O2S — CID 58541773

IUPAC2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,3-diol
SMILESOCC(CO)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1
InChIInChI=1S/C18H16FN5O2S/c19-12-3-1-11(2-4-12)15-16(24-7-8-27-18(24)23-15)14-5-6-20-17(22-14)21-13(9-25)10-26/h1-8,13,25-26H,9-10H2,(H,20,21,22)
InChIKeyGCDSDXXISIWFPS-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.42
Rot. Bonds6

About 2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,3-diol

2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,3-diol (PubChem CID 58541773) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,3-diol
PubChem CID58541773
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,3-diol
SMILESOCC(CO)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1
InChIInChI=1S/C18H16FN5O2S/c19-12-3-1-11(2-4-12)15-16(24-7-8-27-18(24)23-15)14-5-6-20-17(22-14)21-13(9-25)10-26/h1-8,13,25-26H,9-10H2,(H,20,21,22)
InChIKeyGCDSDXXISIWFPS-UHFFFAOYSA-N
XLogP2.42
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

methyl (3S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-3-methylpentanoate
CID 58541839
(2S)-2-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-3-methylbutan-1-ol
CID 58541697
(2S)-3-methyl-2-[[4-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]butan-1-ol
CID 58541690
(2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol
CID 58541800
ethane;4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylpyrimidin-2-amine;pyrrolidine
CID 143219842
N-(1H-benzimidazol-2-ylmethyl)-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 58541794
3-[5-[2-[3-(4-fluorophenyl)sulfonylpropylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 148741083
(2S,3S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]butane-1,3-diol
CID 58541756
3-[5-[2-[2-[(4-fluorophenyl)sulfanylamino]ethylamino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenol
CID 138631843
N-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide
CID 155816162
tert-butyl 5-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-1-hydroxy-1-methyl-1-oxo-1,2,5-thiadiazolidine-2-carboxylate
CID 145437336
4-fluoro-N-[3-[[4-[6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide
CID 159652354

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,3-diol?
The IUPAC name of 2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,3-diol (CID 58541773) is 2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,3-diol is OCC(CO)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3sccn23)n1.
What is the InChIKey of 2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,3-diol?
The InChIKey is GCDSDXXISIWFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c19-12-3-1-11(2-4-12)15-16(24-7-8-27-18(24)23-15)14-5-6-20-17(22-14)21-13(9-25)10-26/h1-8,13,25-26H,9-10H2,(H,20,21,22).
What are the key properties of 2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,3-diol?
2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,3-diol has a molecular weight of 385.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,3-diol is sourced from PubChem (CID 58541773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).