5-[(2-chloro-4-pyridinyl)oxy]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole

C19H15ClN2OS — CID 169196635

IUPAC5-[(2-chloro-4-pyridinyl)oxy]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole
SMILESClc1cc(Oc2sc(C3=CCCC3)nc2-c2ccccc2)ccn1
InChIInChI=1S/C19H15ClN2OS/c20-16-12-15(10-11-21-16)23-19-17(13-6-2-1-3-7-13)22-18(24-19)14-8-4-5-9-14/h1-3,6-8,10-12H,4-5,9H2
InChIKeyKCIHPSIFURKFNM-UHFFFAOYSA-N
MW354.86 g/mol
LogP6.22
Rot. Bonds4

About 5-[(2-chloro-4-pyridinyl)oxy]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole

5-[(2-chloro-4-pyridinyl)oxy]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole (PubChem CID 169196635) has the molecular formula C19H15ClN2OS and a molecular weight of 354.86 g/mol. Its IUPAC name is 5-[(2-chloro-4-pyridinyl)oxy]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-chloro-4-pyridinyl)oxy]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole
PubChem CID169196635
Molecular FormulaC19H15ClN2OS
Molecular Weight354.86 g/mol
Exact Mass354.06
IUPAC Name5-[(2-chloro-4-pyridinyl)oxy]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole
SMILESClc1cc(Oc2sc(C3=CCCC3)nc2-c2ccccc2)ccn1
InChIInChI=1S/C19H15ClN2OS/c20-16-12-15(10-11-21-16)23-19-17(13-6-2-1-3-7-13)22-18(24-19)14-8-4-5-9-14/h1-3,6-8,10-12H,4-5,9H2
InChIKeyKCIHPSIFURKFNM-UHFFFAOYSA-N
XLogP6.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.86
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole?
The IUPAC name of 5-[(2-chloro-4-pyridinyl)oxy]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole (CID 169196635) is 5-[(2-chloro-4-pyridinyl)oxy]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 5-[(2-chloro-4-pyridinyl)oxy]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 5-[(2-chloro-4-pyridinyl)oxy]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole is Clc1cc(Oc2sc(C3=CCCC3)nc2-c2ccccc2)ccn1.
What is the InChIKey of 5-[(2-chloro-4-pyridinyl)oxy]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole?
The InChIKey is KCIHPSIFURKFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2OS/c20-16-12-15(10-11-21-16)23-19-17(13-6-2-1-3-7-13)22-18(24-19)14-8-4-5-9-14/h1-3,6-8,10-12H,4-5,9H2.
What are the key properties of 5-[(2-chloro-4-pyridinyl)oxy]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole?
5-[(2-chloro-4-pyridinyl)oxy]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole has a molecular weight of 354.86 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-pyridinyl)oxy]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 169196635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).