2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol

C14H12N2OS2 — CID 4318310

IUPAC2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol
SMILESCc1sc(Cc2nc(O)cs2)nc1-c1ccccc1
InChIInChI=1S/C14H12N2OS2/c1-9-14(10-5-3-2-4-6-10)16-13(19-9)7-12-15-11(17)8-18-12/h2-6,8,17H,7H2,1H3
InChIKeyRJEADPAJVSGAAR-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.87
Rot. Bonds3

About 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol

2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol (PubChem CID 4318310) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol
PubChem CID4318310
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol
SMILESCc1sc(Cc2nc(O)cs2)nc1-c1ccccc1
InChIInChI=1S/C14H12N2OS2/c1-9-14(10-5-3-2-4-6-10)16-13(19-9)7-12-15-11(17)8-18-12/h2-6,8,17H,7H2,1H3
InChIKeyRJEADPAJVSGAAR-UHFFFAOYSA-N
XLogP3.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[4-(2-Fluorophenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol
CID 1482068
2-[(4-[1,1'-Biphenyl]-4-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol
CID 1473456
2-{[4-(4-Bromophenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol
CID 1482076
2-{[4-(2-Naphthyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol
CID 1482061
(2E)-2-[(4-phenyl-5-propyl-1,3-thiazol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 136219122
(2E)-2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 136219124
(2E)-2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 136219125
Thiazole, 2-phenyl-4-(2-thienyl)-
CID 2795747
5-[4-(4-Fluorophenyl)-2-thiazolyl]-4-methyl-1,2,3-thiadiazole
CID 2804343
2-Methyl-4-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
CID 40061442
5-Methyl-4-phenyl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
CID 155543720
5-Methyl-4-phenyl-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
CID 162653342

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol (CID 4318310) is 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol is Cc1sc(Cc2nc(O)cs2)nc1-c1ccccc1.
What is the InChIKey of 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol?
The InChIKey is RJEADPAJVSGAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-9-14(10-5-3-2-4-6-10)16-13(19-9)7-12-15-11(17)8-18-12/h2-6,8,17H,7H2,1H3.
What are the key properties of 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol?
2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol has a molecular weight of 288.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 4318310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).