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

C19H19N5O3S — CID 58541734

IUPAC3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,2-diol
SMILESCOc1cccc(-c2nc3sccn3c2-c2ccnc(NCC(O)CO)n2)c1
InChIInChI=1S/C19H19N5O3S/c1-27-14-4-2-3-12(9-14)16-17(24-7-8-28-19(24)23-16)15-5-6-20-18(22-15)21-10-13(26)11-25/h2-9,13,25-26H,10-11H2,1H3,(H,20,21,22)
InChIKeyFFDRHPJHSCQVJE-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.29
Rot. Bonds7

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

3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,2-diol (PubChem CID 58541734) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is 3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,2-diol
PubChem CID58541734
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,2-diol
SMILESCOc1cccc(-c2nc3sccn3c2-c2ccnc(NCC(O)CO)n2)c1
InChIInChI=1S/C19H19N5O3S/c1-27-14-4-2-3-12(9-14)16-17(24-7-8-28-19(24)23-16)15-5-6-20-18(22-15)21-10-13(26)11-25/h2-9,13,25-26H,10-11H2,1H3,(H,20,21,22)
InChIKeyFFDRHPJHSCQVJE-UHFFFAOYSA-N
XLogP2.29
TPSA104.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,2-diol (CID 58541734) is 3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,2-diol is COc1cccc(-c2nc3sccn3c2-c2ccnc(NCC(O)CO)n2)c1.
What is the InChIKey of 3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,2-diol?
The InChIKey is FFDRHPJHSCQVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-27-14-4-2-3-12(9-14)16-17(24-7-8-28-19(24)23-16)15-5-6-20-18(22-15)21-10-13(26)11-25/h2-9,13,25-26H,10-11H2,1H3,(H,20,21,22).
What are the key properties of 3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,2-diol?
3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,2-diol has a molecular weight of 397.46 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propane-1,2-diol is sourced from PubChem (CID 58541734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).