2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1,3-thiazole

C15H13NO3S3 — CID 166367974

IUPAC2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(CSc2nc(-c3ccccc3)cs2)o1
InChIInChI=1S/C15H13NO3S3/c1-22(17,18)14-8-7-12(19-14)9-20-15-16-13(10-21-15)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKeyHEXHIZQKZDBHHT-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.10
Rot. Bonds5

About 2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1,3-thiazole

2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1,3-thiazole (PubChem CID 166367974) has the molecular formula C15H13NO3S3 and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1,3-thiazole
PubChem CID166367974
Molecular FormulaC15H13NO3S3
Molecular Weight351.47 g/mol
Exact Mass351.01
IUPAC Name2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(CSc2nc(-c3ccccc3)cs2)o1
InChIInChI=1S/C15H13NO3S3/c1-22(17,18)14-8-7-12(19-14)9-20-15-16-13(10-21-15)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKeyHEXHIZQKZDBHHT-UHFFFAOYSA-N
XLogP4.10
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N,N-dimethylfuran-2-sulfonamide
CID 166208364
5-methyl-2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1H-imidazole
CID 166367978
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 18202322
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-benzoxazole
CID 9484079
4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole
CID 71899247
2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole
CID 66972700
N-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide
CID 33293884
1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride
CID 21478143
(2R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride
CID 67771453
5-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiadiazole
CID 33001886
N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3401404
2-(4-bromophenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 29351676

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1,3-thiazole (CID 166367974) is 2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1,3-thiazole is CS(=O)(=O)c1ccc(CSc2nc(-c3ccccc3)cs2)o1.
What is the InChIKey of 2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1,3-thiazole?
The InChIKey is HEXHIZQKZDBHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S3/c1-22(17,18)14-8-7-12(19-14)9-20-15-16-13(10-21-15)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3.
What are the key properties of 2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1,3-thiazole?
2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1,3-thiazole has a molecular weight of 351.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylsulfonylfuran-2-yl)methylsulfanyl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 166367974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).