4-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole

C20H21N3O2S — CID 118709536

IUPAC4-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccnc(O[C@H]4CCOC4)c3)cs2)ccn1
InChIInChI=1S/C20H21N3O2S/c1-2-3-16-10-15(5-7-21-16)20-23-18(13-26-20)14-4-8-22-19(11-14)25-17-6-9-24-12-17/h4-5,7-8,10-11,13,17H,2-3,6,9,12H2,1H3/t17-/m0/s1
InChIKeyHRJRZVJZMSPEHU-KRWDZBQOSA-N
MW367.47 g/mol
LogP4.39
Rot. Bonds6

About 4-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole

4-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole (PubChem CID 118709536) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole
PubChem CID118709536
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name4-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccnc(O[C@H]4CCOC4)c3)cs2)ccn1
InChIInChI=1S/C20H21N3O2S/c1-2-3-16-10-15(5-7-21-16)20-23-18(13-26-20)14-4-8-22-19(11-14)25-17-6-9-24-12-17/h4-5,7-8,10-11,13,17H,2-3,6,9,12H2,1H3/t17-/m0/s1
InChIKeyHRJRZVJZMSPEHU-KRWDZBQOSA-N
XLogP4.39
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole (CID 118709536) is 4-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole is CCCc1cc(-c2nc(-c3ccnc(O[C@H]4CCOC4)c3)cs2)ccn1.
What is the InChIKey of 4-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The InChIKey is HRJRZVJZMSPEHU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-2-3-16-10-15(5-7-21-16)20-23-18(13-26-20)14-4-8-22-19(11-14)25-17-6-9-24-12-17/h4-5,7-8,10-11,13,17H,2-3,6,9,12H2,1H3/t17-/m0/s1.
What are the key properties of 4-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
4-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole has a molecular weight of 367.47 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 118709536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).