[5-(2-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol

C21H14Cl2N2OS — CID 25185271

IUPAC[5-(2-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2)nsc1-c1ccccc1Cl
InChIInChI=1S/C21H14Cl2N2OS/c22-15-9-7-13(8-10-15)19-18(20(26)14-4-3-11-24-12-14)21(27-25-19)16-5-1-2-6-17(16)23/h1-12,20,26H
InChIKeyVGEVMYJDTIPVGW-UHFFFAOYSA-N
MW413.33 g/mol
LogP6.26
Rot. Bonds4

About [5-(2-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol

[5-(2-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 25185271) has the molecular formula C21H14Cl2N2OS and a molecular weight of 413.33 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol
PubChem CID25185271
Molecular FormulaC21H14Cl2N2OS
Molecular Weight413.33 g/mol
Exact Mass412.02
IUPAC Name[5-(2-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2)nsc1-c1ccccc1Cl
InChIInChI=1S/C21H14Cl2N2OS/c22-15-9-7-13(8-10-15)19-18(20(26)14-4-3-11-24-12-14)21(27-25-19)16-5-1-2-6-17(16)23/h1-12,20,26H
InChIKeyVGEVMYJDTIPVGW-UHFFFAOYSA-N
XLogP6.26
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.33
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-Chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol
CID 16722242
(4-Chloro-phenyl)-(2-chloro-phenyl)-pyridin-3-yl-methanol: (Hydrochloride)
CID 18960776
(2-Chloropyridin-3-yl)(2,4-dichlorophenyl)methanol
CID 3061982
[1-(Benzenesulfonyl)pyrrol-3-yl]-(4-chlorophenyl)methanol
CID 475644
[1-(Benzenesulfonyl)pyrrol-3-yl]-(2,4-dichlorophenyl)methanol
CID 475645
[1-(Benzenesulfonyl)pyrrol-3-yl]-(2-chlorophenyl)methanol
CID 475646
[1-(4-Chlorophenyl)sulfonylpyrrol-3-yl]-(2,4-dichlorophenyl)methanol
CID 475650
[1-(4-Aminophenyl)sulfonylpyrrol-3-yl]-(2,4-dichlorophenyl)methanol
CID 475657
[4-(4-Chlorophenyl)-2-(3,5-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 24744782
[4-(4-Chlorophenyl)-2-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 24744946
[4-(4-Chlorophenyl)-2-(2-fluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 24745757
[4-(4-Chlorophenyl)-2-(3-fluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 24745920

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [5-(2-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol (CID 25185271) is [5-(2-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [5-(2-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [5-(2-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccc(Cl)cc2)nsc1-c1ccccc1Cl.
What is the InChIKey of [5-(2-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is VGEVMYJDTIPVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2OS/c22-15-9-7-13(8-10-15)19-18(20(26)14-4-3-11-24-12-14)21(27-25-19)16-5-1-2-6-17(16)23/h1-12,20,26H.
What are the key properties of [5-(2-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol?
[5-(2-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol has a molecular weight of 413.33 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 25185271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).