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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Related Compounds

3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide
CID 122133830
4-(4-methyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole
CID 22049802
2-(2-chlorophenyl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole
CID 91378887
4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride
CID 67551034
4-(2-chlorophenyl)-2-(4-cyclopropyl-3-pyridinyl)-1,3-thiazole
CID 91281047
4-(2,2-dimethylpropyl)-2-(furan-3-yl)-1,3-thiazole
CID 166559603
2-(4-methoxyphenyl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole
CID 91135598
4-(3-chloro-4-pyridinyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine
CID 100639818
N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine
CID 126768185
4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole
CID 90735429
2-(furan-3-yl)-4-(oxan-4-yl)-1,3-thiazole
CID 84593643
2-[4-(furan-3-yl)-3-pyridinyl]ethanamine
CID 82405084

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).