4-(2,6-dideuteriophenyl)-1,3-thiazole

C9H7NS — CID 101141064

IUPAC4-(2,6-dideuteriophenyl)-1,3-thiazole
SMILES[2H]c1cccc([2H])c1-c1cscn1
InChIInChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-7H/i4D,5D
InChIKeyKXCQDIWJQBSUJF-KFRNQKGQSA-N
MW163.24 g/mol
LogP2.81
Rot. Bonds1

About 4-(2,6-dideuteriophenyl)-1,3-thiazole

4-(2,6-dideuteriophenyl)-1,3-thiazole (PubChem CID 101141064) has the molecular formula C9H7NS and a molecular weight of 163.24 g/mol. Its IUPAC name is 4-(2,6-dideuteriophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,6-dideuteriophenyl)-1,3-thiazole
PubChem CID101141064
Molecular FormulaC9H7NS
Molecular Weight163.24 g/mol
Exact Mass163.04
IUPAC Name4-(2,6-dideuteriophenyl)-1,3-thiazole
SMILES[2H]c1cccc([2H])c1-c1cscn1
InChIInChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-7H/i4D,5D
InChIKeyKXCQDIWJQBSUJF-KFRNQKGQSA-N
XLogP2.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4,5-trimethylphenyl)-1,3-thiazole
CID 174513001
2,6-dibromo-4-(1,3-thiazol-4-yl)phenol
CID 91164577
4-(1H-pyrrol-3-yl)-1,3-thiazole
CID 118537050
[4-(1,3-thiazol-4-yl)phenyl]boronic acid
CID 67212242
4-(4-ethylphenyl)-1,3-thiazole
CID 3919361
[3-(1,3-thiazol-4-yl)phenyl]boronic acid
CID 67212303
5-(1,3-thiazol-4-yl)pyridine-3-carboxylic acid
CID 127018519
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazole
CID 131627676
1,3-thiazol-4-ylphosphane
CID 23047202
4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 4262449
2-[4-(1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
CID 168519133
4-(1,3-thiazol-4-yl)benzene-1,2-dicarbonitrile
CID 76539824

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dideuteriophenyl)-1,3-thiazole?
The IUPAC name of 4-(2,6-dideuteriophenyl)-1,3-thiazole (CID 101141064) is 4-(2,6-dideuteriophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2,6-dideuteriophenyl)-1,3-thiazole?
The canonical SMILES for 4-(2,6-dideuteriophenyl)-1,3-thiazole is [2H]c1cccc([2H])c1-c1cscn1.
What is the InChIKey of 4-(2,6-dideuteriophenyl)-1,3-thiazole?
The InChIKey is KXCQDIWJQBSUJF-KFRNQKGQSA-N. The full InChI is InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-7H/i4D,5D.
What are the key properties of 4-(2,6-dideuteriophenyl)-1,3-thiazole?
4-(2,6-dideuteriophenyl)-1,3-thiazole has a molecular weight of 163.24 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dideuteriophenyl)-1,3-thiazole is sourced from PubChem (CID 101141064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).