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

C21H14Cl2N2OS — CID 25185272

IUPAC[5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2)nsc1-c1cccc(Cl)c1
InChIInChI=1S/C21H14Cl2N2OS/c22-16-8-6-13(7-9-16)19-18(20(26)15-4-2-10-24-12-15)21(27-25-19)14-3-1-5-17(23)11-14/h1-12,20,26H
InChIKeyNPZTVHJRUXASCC-UHFFFAOYSA-N
MW413.33 g/mol
LogP6.26
Rot. Bonds4

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

[5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 25185272) has the molecular formula C21H14Cl2N2OS and a molecular weight of 413.33 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol
PubChem CID25185272
Molecular FormulaC21H14Cl2N2OS
Molecular Weight413.33 g/mol
Exact Mass412.02
IUPAC Name[5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2)nsc1-c1cccc(Cl)c1
InChIInChI=1S/C21H14Cl2N2OS/c22-16-8-6-13(7-9-16)19-18(20(26)15-4-2-10-24-12-15)21(27-25-19)14-3-1-5-17(23)11-14/h1-12,20,26H
InChIKeyNPZTVHJRUXASCC-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-(3-Chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol
CID 137642361
[1-(Benzenesulfonyl)pyrrol-3-yl]-(4-chlorophenyl)methanol
CID 475644
(1R,2S)-1-[2-(3,5-dichlorophenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethanol
CID 23585353
[4-(3-Chlorophenyl)-2-(3,5-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 24744632
[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
[2-(3-Chlorophenyl)-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 24745753
[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
[4-(4-Chloro-2-fluorophenyl)-2-(4-chlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 24745923
[4-(4-Chloro-2-fluorophenyl)-2-(3-chlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 24745924
[2-(4-Chlorophenyl)-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 24746083

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol (CID 25185272) is [5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccc(Cl)cc2)nsc1-c1cccc(Cl)c1.
What is the InChIKey of [5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is NPZTVHJRUXASCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2OS/c22-16-8-6-13(7-9-16)19-18(20(26)15-4-2-10-24-12-15)21(27-25-19)14-3-1-5-17(23)11-14/h1-12,20,26H.
What are the key properties of [5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol?
[5-(3-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-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 25185272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).