6-(3-methoxyphenyl)-7-pyridin-4-yl-2,3-dihydropyrazolo[5,1-b][1,3]thiazol-3-ol

C17H15N3O2S — CID 67423858

IUPAC6-(3-methoxyphenyl)-7-pyridin-4-yl-2,3-dihydropyrazolo[5,1-b][1,3]thiazol-3-ol
SMILESCOc1cccc(-c2nn3c(c2-c2ccncc2)SCC3O)c1
InChIInChI=1S/C17H15N3O2S/c1-22-13-4-2-3-12(9-13)16-15(11-5-7-18-8-6-11)17-20(19-16)14(21)10-23-17/h2-9,14,21H,10H2,1H3
InChIKeyTYMFECMNEJRONN-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.22
Rot. Bonds3

About 6-(3-methoxyphenyl)-7-pyridin-4-yl-2,3-dihydropyrazolo[5,1-b][1,3]thiazol-3-ol

6-(3-methoxyphenyl)-7-pyridin-4-yl-2,3-dihydropyrazolo[5,1-b][1,3]thiazol-3-ol (PubChem CID 67423858) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-7-pyridin-4-yl-2,3-dihydropyrazolo[5,1-b][1,3]thiazol-3-ol.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-7-pyridin-4-yl-2,3-dihydropyrazolo[5,1-b][1,3]thiazol-3-ol
PubChem CID67423858
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name6-(3-methoxyphenyl)-7-pyridin-4-yl-2,3-dihydropyrazolo[5,1-b][1,3]thiazol-3-ol
SMILESCOc1cccc(-c2nn3c(c2-c2ccncc2)SCC3O)c1
InChIInChI=1S/C17H15N3O2S/c1-22-13-4-2-3-12(9-13)16-15(11-5-7-18-8-6-11)17-20(19-16)14(21)10-23-17/h2-9,14,21H,10H2,1H3
InChIKeyTYMFECMNEJRONN-UHFFFAOYSA-N
XLogP3.22
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-7-pyridin-4-yl-2,3-dihydropyrazolo[5,1-b][1,3]thiazol-3-ol?
The IUPAC name of 6-(3-methoxyphenyl)-7-pyridin-4-yl-2,3-dihydropyrazolo[5,1-b][1,3]thiazol-3-ol (CID 67423858) is 6-(3-methoxyphenyl)-7-pyridin-4-yl-2,3-dihydropyrazolo[5,1-b][1,3]thiazol-3-ol.
What is the SMILES notation for 6-(3-methoxyphenyl)-7-pyridin-4-yl-2,3-dihydropyrazolo[5,1-b][1,3]thiazol-3-ol?
The canonical SMILES for 6-(3-methoxyphenyl)-7-pyridin-4-yl-2,3-dihydropyrazolo[5,1-b][1,3]thiazol-3-ol is COc1cccc(-c2nn3c(c2-c2ccncc2)SCC3O)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-7-pyridin-4-yl-2,3-dihydropyrazolo[5,1-b][1,3]thiazol-3-ol?
The InChIKey is TYMFECMNEJRONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-22-13-4-2-3-12(9-13)16-15(11-5-7-18-8-6-11)17-20(19-16)14(21)10-23-17/h2-9,14,21H,10H2,1H3.
What are the key properties of 6-(3-methoxyphenyl)-7-pyridin-4-yl-2,3-dihydropyrazolo[5,1-b][1,3]thiazol-3-ol?
6-(3-methoxyphenyl)-7-pyridin-4-yl-2,3-dihydropyrazolo[5,1-b][1,3]thiazol-3-ol has a molecular weight of 325.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-7-pyridin-4-yl-2,3-dihydropyrazolo[5,1-b][1,3]thiazol-3-ol is sourced from PubChem (CID 67423858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).