2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol

C13H9ClN2OS2 — CID 1482059

IUPAC2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
SMILESOc1csc(Cc2nc(-c3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C13H9ClN2OS2/c14-9-3-1-8(2-4-9)10-6-18-12(15-10)5-13-16-11(17)7-19-13/h1-4,6-7,17H,5H2
InChIKeyOUJBAESIZBFXKH-UHFFFAOYSA-N
MW308.82 g/mol
LogP4.22
Rot. Bonds3

About 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol

2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol (PubChem CID 1482059) has the molecular formula C13H9ClN2OS2 and a molecular weight of 308.82 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
PubChem CID1482059
Molecular FormulaC13H9ClN2OS2
Molecular Weight308.82 g/mol
Exact Mass307.98
IUPAC Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
SMILESOc1csc(Cc2nc(-c3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C13H9ClN2OS2/c14-9-3-1-8(2-4-9)10-6-18-12(15-10)5-13-16-11(17)7-19-13/h1-4,6-7,17H,5H2
InChIKeyOUJBAESIZBFXKH-UHFFFAOYSA-N
XLogP4.22
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.82
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole
CID 94281736
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol
CID 53391458
4-(4-chlorophenyl)-2-(ethoxymethyl)-1,3-thiazole
CID 167790638
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol
CID 82123236
2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
CID 130501477
4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
CID 159061814
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307
N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-cyclopropylmethanesulfonamide
CID 86778290

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol (CID 1482059) is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol is Oc1csc(Cc2nc(-c3ccc(Cl)cc3)cs2)n1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
The InChIKey is OUJBAESIZBFXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS2/c14-9-3-1-8(2-4-9)10-6-18-12(15-10)5-13-16-11(17)7-19-13/h1-4,6-7,17H,5H2.
What are the key properties of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol has a molecular weight of 308.82 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 1482059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).