4-(3-chloro-4-pyridinyl)-2-(furan-3-yl)-1,3-thiazole

C12H7ClN2OS — CID 122133821

IUPAC4-(3-chloro-4-pyridinyl)-2-(furan-3-yl)-1,3-thiazole
SMILESClc1cnccc1-c1csc(-c2ccoc2)n1
InChIInChI=1S/C12H7ClN2OS/c13-10-5-14-3-1-9(10)11-7-17-12(15-11)8-2-4-16-6-8/h1-7H
InChIKeyGSICZZJQSDTYEX-UHFFFAOYSA-N
MW262.72 g/mol
LogP4.12
Rot. Bonds2

About 4-(3-chloro-4-pyridinyl)-2-(furan-3-yl)-1,3-thiazole

4-(3-chloro-4-pyridinyl)-2-(furan-3-yl)-1,3-thiazole (PubChem CID 122133821) has the molecular formula C12H7ClN2OS and a molecular weight of 262.72 g/mol. Its IUPAC name is 4-(3-chloro-4-pyridinyl)-2-(furan-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-chloro-4-pyridinyl)-2-(furan-3-yl)-1,3-thiazole
PubChem CID122133821
Molecular FormulaC12H7ClN2OS
Molecular Weight262.72 g/mol
Exact Mass262.00
IUPAC Name4-(3-chloro-4-pyridinyl)-2-(furan-3-yl)-1,3-thiazole
SMILESClc1cnccc1-c1csc(-c2ccoc2)n1
InChIInChI=1S/C12H7ClN2OS/c13-10-5-14-3-1-9(10)11-7-17-12(15-11)8-2-4-16-6-8/h1-7H
InChIKeyGSICZZJQSDTYEX-UHFFFAOYSA-N
XLogP4.12
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-pyridinyl)-2-(furan-3-yl)-1,3-thiazole?
The IUPAC name of 4-(3-chloro-4-pyridinyl)-2-(furan-3-yl)-1,3-thiazole (CID 122133821) is 4-(3-chloro-4-pyridinyl)-2-(furan-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3-chloro-4-pyridinyl)-2-(furan-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(3-chloro-4-pyridinyl)-2-(furan-3-yl)-1,3-thiazole is Clc1cnccc1-c1csc(-c2ccoc2)n1.
What is the InChIKey of 4-(3-chloro-4-pyridinyl)-2-(furan-3-yl)-1,3-thiazole?
The InChIKey is GSICZZJQSDTYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2OS/c13-10-5-14-3-1-9(10)11-7-17-12(15-11)8-2-4-16-6-8/h1-7H.
What are the key properties of 4-(3-chloro-4-pyridinyl)-2-(furan-3-yl)-1,3-thiazole?
4-(3-chloro-4-pyridinyl)-2-(furan-3-yl)-1,3-thiazole has a molecular weight of 262.72 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-pyridinyl)-2-(furan-3-yl)-1,3-thiazole is sourced from PubChem (CID 122133821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).