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

C19H19N5O2S — CID 59011528

IUPAC2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propan-1-ol
SMILESCOc1cccc(-c2nc3sccn3c2-c2ccnc(NC(C)CO)n2)c1
InChIInChI=1S/C19H19N5O2S/c1-12(11-25)21-18-20-7-6-15(22-18)17-16(23-19-24(17)8-9-27-19)13-4-3-5-14(10-13)26-2/h3-10,12,25H,11H2,1-2H3,(H,20,21,22)
InChIKeyIGVLKRSMSDLZPI-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.32
Rot. Bonds6

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

2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propan-1-ol (PubChem CID 59011528) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propan-1-ol
PubChem CID59011528
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propan-1-ol
SMILESCOc1cccc(-c2nc3sccn3c2-c2ccnc(NC(C)CO)n2)c1
InChIInChI=1S/C19H19N5O2S/c1-12(11-25)21-18-20-7-6-15(22-18)17-16(23-19-24(17)8-9-27-19)13-4-3-5-14(10-13)26-2/h3-10,12,25H,11H2,1-2H3,(H,20,21,22)
InChIKeyIGVLKRSMSDLZPI-UHFFFAOYSA-N
XLogP3.32
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propan-1-ol?
The IUPAC name of 2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propan-1-ol (CID 59011528) is 2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propan-1-ol is COc1cccc(-c2nc3sccn3c2-c2ccnc(NC(C)CO)n2)c1.
What is the InChIKey of 2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propan-1-ol?
The InChIKey is IGVLKRSMSDLZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-12(11-25)21-18-20-7-6-15(22-18)17-16(23-19-24(17)8-9-27-19)13-4-3-5-14(10-13)26-2/h3-10,12,25H,11H2,1-2H3,(H,20,21,22).
What are the key properties of 2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propan-1-ol?
2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propan-1-ol has a molecular weight of 381.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 59011528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).