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

C23H19FN6OS — CID 58541762

IUPAC(1R)-2-[[4-amino-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-1-phenylethanol
SMILESNc1cc(-c2c(-c3ccc(F)cc3)nc3sccn23)nc(NC[C@H](O)c2ccccc2)n1
InChIInChI=1S/C23H19FN6OS/c24-16-8-6-15(7-9-16)20-21(30-10-11-32-23(30)29-20)17-12-19(25)28-22(27-17)26-13-18(31)14-4-2-1-3-5-14/h1-12,18,31H,13H2,(H3,25,26,27,28)/t18-/m0/s1
InChIKeyOFSMHNVUNFPJDT-SFHVURJKSA-N
MW446.51 g/mol
LogP4.39
Rot. Bonds6

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

(1R)-2-[[4-amino-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-1-phenylethanol (PubChem CID 58541762) has the molecular formula C23H19FN6OS and a molecular weight of 446.51 g/mol. Its IUPAC name is (1R)-2-[[4-amino-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[4-amino-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-1-phenylethanol
PubChem CID58541762
Molecular FormulaC23H19FN6OS
Molecular Weight446.51 g/mol
Exact Mass446.13
IUPAC Name(1R)-2-[[4-amino-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-1-phenylethanol
SMILESNc1cc(-c2c(-c3ccc(F)cc3)nc3sccn23)nc(NC[C@H](O)c2ccccc2)n1
InChIInChI=1S/C23H19FN6OS/c24-16-8-6-15(7-9-16)20-21(30-10-11-32-23(30)29-20)17-12-19(25)28-22(27-17)26-13-18(31)14-4-2-1-3-5-14/h1-12,18,31H,13H2,(H3,25,26,27,28)/t18-/m0/s1
InChIKeyOFSMHNVUNFPJDT-SFHVURJKSA-N
XLogP4.39
TPSA101.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[4-amino-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[4-amino-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-1-phenylethanol (CID 58541762) is (1R)-2-[[4-amino-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[4-amino-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[4-amino-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-1-phenylethanol is Nc1cc(-c2c(-c3ccc(F)cc3)nc3sccn23)nc(NC[C@H](O)c2ccccc2)n1.
What is the InChIKey of (1R)-2-[[4-amino-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-1-phenylethanol?
The InChIKey is OFSMHNVUNFPJDT-SFHVURJKSA-N. The full InChI is InChI=1S/C23H19FN6OS/c24-16-8-6-15(7-9-16)20-21(30-10-11-32-23(30)29-20)17-12-19(25)28-22(27-17)26-13-18(31)14-4-2-1-3-5-14/h1-12,18,31H,13H2,(H3,25,26,27,28)/t18-/m0/s1.
What are the key properties of (1R)-2-[[4-amino-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-1-phenylethanol?
(1R)-2-[[4-amino-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-1-phenylethanol has a molecular weight of 446.51 g/mol, XLogP of 4.39, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[4-amino-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]-1-phenylethanol is sourced from PubChem (CID 58541762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).