4-(chloromethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-5H-1,3-thiazol-4-ol

C13H11ClN2OS2 — CID 10519052

IUPAC4-(chloromethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-5H-1,3-thiazol-4-ol
SMILESOC1(CCl)CSC(c2csc(-c3ccccc3)n2)=N1
InChIInChI=1S/C13H11ClN2OS2/c14-7-13(17)8-19-12(16-13)10-6-18-11(15-10)9-4-2-1-3-5-9/h1-6,17H,7-8H2
InChIKeyUFCGWWGJYWKKTH-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.23
Rot. Bonds3

About 4-(chloromethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-5H-1,3-thiazol-4-ol

4-(chloromethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-5H-1,3-thiazol-4-ol (PubChem CID 10519052) has the molecular formula C13H11ClN2OS2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-5H-1,3-thiazol-4-ol.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-5H-1,3-thiazol-4-ol
PubChem CID10519052
Molecular FormulaC13H11ClN2OS2
Molecular Weight310.83 g/mol
Exact Mass310.00
IUPAC Name4-(chloromethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-5H-1,3-thiazol-4-ol
SMILESOC1(CCl)CSC(c2csc(-c3ccccc3)n2)=N1
InChIInChI=1S/C13H11ClN2OS2/c14-7-13(17)8-19-12(16-13)10-6-18-11(15-10)9-4-2-1-3-5-9/h1-6,17H,7-8H2
InChIKeyUFCGWWGJYWKKTH-UHFFFAOYSA-N
XLogP3.23
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol
CID 169215045
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
2-phenyl-1,3-thiazol-4-ol
CID 568728
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 4671727
2-chloro-4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 118577090
[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol
CID 10828361
4-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-phenyl-1,3-thiazole
CID 4031287
1-(cyclohexylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081994
2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 130375597

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-5H-1,3-thiazol-4-ol?
The IUPAC name of 4-(chloromethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-5H-1,3-thiazol-4-ol (CID 10519052) is 4-(chloromethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-5H-1,3-thiazol-4-ol.
What is the SMILES notation for 4-(chloromethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-5H-1,3-thiazol-4-ol?
The canonical SMILES for 4-(chloromethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-5H-1,3-thiazol-4-ol is OC1(CCl)CSC(c2csc(-c3ccccc3)n2)=N1.
What is the InChIKey of 4-(chloromethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-5H-1,3-thiazol-4-ol?
The InChIKey is UFCGWWGJYWKKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS2/c14-7-13(17)8-19-12(16-13)10-6-18-11(15-10)9-4-2-1-3-5-9/h1-6,17H,7-8H2.
What are the key properties of 4-(chloromethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-5H-1,3-thiazol-4-ol?
4-(chloromethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-5H-1,3-thiazol-4-ol has a molecular weight of 310.83 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2-phenyl-1,3-thiazol-4-yl)-5H-1,3-thiazol-4-ol is sourced from PubChem (CID 10519052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).