5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole

C17H16ClN3OS — CID 169196626

IUPAC5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole
SMILESCc1cccc(-c2nc(C(C)C)sc2Oc2ccnc(Cl)c2)n1
InChIInChI=1S/C17H16ClN3OS/c1-10(2)16-21-15(13-6-4-5-11(3)20-13)17(23-16)22-12-7-8-19-14(18)9-12/h4-10H,1-3H3
InChIKeyJTVSADVGHIIULB-UHFFFAOYSA-N
MW345.86 g/mol
LogP5.48
Rot. Bonds4

About 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole

5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole (PubChem CID 169196626) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole
PubChem CID169196626
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC Name5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole
SMILESCc1cccc(-c2nc(C(C)C)sc2Oc2ccnc(Cl)c2)n1
InChIInChI=1S/C17H16ClN3OS/c1-10(2)16-21-15(13-6-4-5-11(3)20-13)17(23-16)22-12-7-8-19-14(18)9-12/h4-10H,1-3H3
InChIKeyJTVSADVGHIIULB-UHFFFAOYSA-N
XLogP5.48
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.86
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole (CID 169196626) is 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole is Cc1cccc(-c2nc(C(C)C)sc2Oc2ccnc(Cl)c2)n1.
What is the InChIKey of 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is JTVSADVGHIIULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c1-10(2)16-21-15(13-6-4-5-11(3)20-13)17(23-16)22-12-7-8-19-14(18)9-12/h4-10H,1-3H3.
What are the key properties of 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole?
5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 345.86 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 169196626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).