2-(2-chloro-4-pyridinyl)-4-(2,6-difluorophenyl)-1,3-thiazole

C14H7ClF2N2S — CID 97057726

IUPAC2-(2-chloro-4-pyridinyl)-4-(2,6-difluorophenyl)-1,3-thiazole
SMILESFc1cccc(F)c1-c1csc(-c2ccnc(Cl)c2)n1
InChIInChI=1S/C14H7ClF2N2S/c15-12-6-8(4-5-18-12)14-19-11(7-20-14)13-9(16)2-1-3-10(13)17/h1-7H
InChIKeyGHRLJXFKMXOROV-UHFFFAOYSA-N
MW308.74 g/mol
LogP4.80
Rot. Bonds2

About 2-(2-chloro-4-pyridinyl)-4-(2,6-difluorophenyl)-1,3-thiazole

2-(2-chloro-4-pyridinyl)-4-(2,6-difluorophenyl)-1,3-thiazole (PubChem CID 97057726) has the molecular formula C14H7ClF2N2S and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-4-(2,6-difluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-4-(2,6-difluorophenyl)-1,3-thiazole
PubChem CID97057726
Molecular FormulaC14H7ClF2N2S
Molecular Weight308.74 g/mol
Exact Mass308.00
IUPAC Name2-(2-chloro-4-pyridinyl)-4-(2,6-difluorophenyl)-1,3-thiazole
SMILESFc1cccc(F)c1-c1csc(-c2ccnc(Cl)c2)n1
InChIInChI=1S/C14H7ClF2N2S/c15-12-6-8(4-5-18-12)14-19-11(7-20-14)13-9(16)2-1-3-10(13)17/h1-7H
InChIKeyGHRLJXFKMXOROV-UHFFFAOYSA-N
XLogP4.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 1889993
CID 1889993
CID 738483
CID 738483
CID 16662948
CID 16662948
CID 701015
CID 701015
CID 44392990
CID 44392990
CID 600616
CID 600616
CID 2806768
CID 2806768
CID 11277481
CID 11277481
CID 16663206
CID 16663206
CID 57384102
CID 57384102
CID 2800024
CID 2800024
CID 2725997
CID 2725997

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyridinyl)-4-(2,6-difluorophenyl)-1,3-thiazole?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-4-(2,6-difluorophenyl)-1,3-thiazole (CID 97057726) is 2-(2-chloro-4-pyridinyl)-4-(2,6-difluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-4-(2,6-difluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-4-(2,6-difluorophenyl)-1,3-thiazole is Fc1cccc(F)c1-c1csc(-c2ccnc(Cl)c2)n1.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-4-(2,6-difluorophenyl)-1,3-thiazole?
The InChIKey is GHRLJXFKMXOROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF2N2S/c15-12-6-8(4-5-18-12)14-19-11(7-20-14)13-9(16)2-1-3-10(13)17/h1-7H.
What are the key properties of 2-(2-chloro-4-pyridinyl)-4-(2,6-difluorophenyl)-1,3-thiazole?
2-(2-chloro-4-pyridinyl)-4-(2,6-difluorophenyl)-1,3-thiazole has a molecular weight of 308.74 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-4-(2,6-difluorophenyl)-1,3-thiazole is sourced from PubChem (CID 97057726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).