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

C21H14Cl2N2OS — CID 25189412

IUPAC[3,5-bis(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2)nsc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H14Cl2N2OS/c22-16-7-3-13(4-8-16)19-18(20(26)15-2-1-11-24-12-15)21(27-25-19)14-5-9-17(23)10-6-14/h1-12,20,26H
InChIKeyRZHFVETWUGUGHT-UHFFFAOYSA-N
MW413.33 g/mol
LogP6.26
Rot. Bonds4

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

[3,5-bis(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 25189412) has the molecular formula C21H14Cl2N2OS and a molecular weight of 413.33 g/mol. Its IUPAC name is [3,5-bis(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[3,5-bis(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol
PubChem CID25189412
Molecular FormulaC21H14Cl2N2OS
Molecular Weight413.33 g/mol
Exact Mass412.02
IUPAC Name[3,5-bis(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(Cl)cc2)nsc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H14Cl2N2OS/c22-16-7-3-13(4-8-16)19-18(20(26)15-2-1-11-24-12-15)21(27-25-19)14-5-9-17(23)10-6-14/h1-12,20,26H
InChIKeyRZHFVETWUGUGHT-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Chlorophenyl)(pyridin-3-yl)methanol
CID 240724
(4-Chlorophenyl)-isoquinolin-1-ylmethanol;hydrochloride
CID 12221201
(4-Chlorophenyl)-(5-chlorothiophen-2-yl)-pyridin-3-ylmethanol
CID 56672788
[1-(Benzenesulfonyl)pyrrol-3-yl]-(4-chlorophenyl)methanol
CID 475644
[1-(Benzenesulfonyl)pyrrol-3-yl]-(2,4-dichlorophenyl)methanol
CID 475645
(6-Butyl-3-pyridinyl)-bis(4-chlorophenyl)methanol
CID 56672785
(4-Chlorophenyl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 20794849
(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

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [3,5-bis(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol (CID 25189412) is [3,5-bis(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [3,5-bis(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [3,5-bis(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccc(Cl)cc2)nsc1-c1ccc(Cl)cc1.
What is the InChIKey of [3,5-bis(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is RZHFVETWUGUGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2OS/c22-16-7-3-13(4-8-16)19-18(20(26)15-2-1-11-24-12-15)21(27-25-19)14-5-9-17(23)10-6-14/h1-12,20,26H.
What are the key properties of [3,5-bis(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol?
[3,5-bis(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 [3,5-bis(4-chlorophenyl)-1,2-thiazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 25189412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).