4-(4-chloro-1,2,5-thiadiazol-3-yl)phenol

C8H5ClN2OS — CID 135666744

IUPAC4-(4-chloro-1,2,5-thiadiazol-3-yl)phenol
SMILESOc1ccc(-c2nsnc2Cl)cc1
InChIInChI=1S/C8H5ClN2OS/c9-8-7(10-13-11-8)5-1-3-6(12)4-2-5/h1-4,12H
InChIKeyOJFHIGWFBMAESL-UHFFFAOYSA-N
MW212.66 g/mol
LogP2.56
Rot. Bonds1

About 4-(4-chloro-1,2,5-thiadiazol-3-yl)phenol

4-(4-chloro-1,2,5-thiadiazol-3-yl)phenol (PubChem CID 135666744) has the molecular formula C8H5ClN2OS and a molecular weight of 212.66 g/mol. Its IUPAC name is 4-(4-chloro-1,2,5-thiadiazol-3-yl)phenol.

Molecular Properties

Compound Name4-(4-chloro-1,2,5-thiadiazol-3-yl)phenol
PubChem CID135666744
Molecular FormulaC8H5ClN2OS
Molecular Weight212.66 g/mol
Exact Mass211.98
IUPAC Name4-(4-chloro-1,2,5-thiadiazol-3-yl)phenol
SMILESOc1ccc(-c2nsnc2Cl)cc1
InChIInChI=1S/C8H5ClN2OS/c9-8-7(10-13-11-8)5-1-3-6(12)4-2-5/h1-4,12H
InChIKeyOJFHIGWFBMAESL-UHFFFAOYSA-N
XLogP2.56
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazole
CID 81221409
4-(4-chlorophenyl)-1,2,5-thiadiazol-3-amine
CID 11820477
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
4-[2-chloro-5-(4-chlorophenyl)-1,3-thiazol-4-yl]phenol
CID 21409060
4-(1,2,5-thiadiazol-3-yl)phenol
CID 137292619
4-(3,4-dichlorophenyl)phenol
CID 6452909
4-(5-amino-3-chloro-2-pyridinyl)phenol
CID 136758122
3-(4-chlorophenyl)-4-(2,6-dichlorophenyl)-1,2,5-thiadiazole
CID 15252600
3-(4-chlorophenyl)-1,2-benzothiazol-6-ol
CID 135847954
4-(2-chloropyrimidin-5-yl)phenol
CID 102475277
3-chloro-4-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazole
CID 82823092
3-(4-chloro-1,2,5-thiadiazol-3-yl)-5-fluorobenzonitrile
CID 66425307

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1,2,5-thiadiazol-3-yl)phenol?
The IUPAC name of 4-(4-chloro-1,2,5-thiadiazol-3-yl)phenol (CID 135666744) is 4-(4-chloro-1,2,5-thiadiazol-3-yl)phenol.
What is the SMILES notation for 4-(4-chloro-1,2,5-thiadiazol-3-yl)phenol?
The canonical SMILES for 4-(4-chloro-1,2,5-thiadiazol-3-yl)phenol is Oc1ccc(-c2nsnc2Cl)cc1.
What is the InChIKey of 4-(4-chloro-1,2,5-thiadiazol-3-yl)phenol?
The InChIKey is OJFHIGWFBMAESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2OS/c9-8-7(10-13-11-8)5-1-3-6(12)4-2-5/h1-4,12H.
What are the key properties of 4-(4-chloro-1,2,5-thiadiazol-3-yl)phenol?
4-(4-chloro-1,2,5-thiadiazol-3-yl)phenol has a molecular weight of 212.66 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1,2,5-thiadiazol-3-yl)phenol is sourced from PubChem (CID 135666744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).