5-[4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole

C13H10N2OS2 — CID 2745395

IUPAC5-[4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESc1ccc(SCc2csc(-c3ccno3)n2)cc1
InChIInChI=1S/C13H10N2OS2/c1-2-4-11(5-3-1)17-8-10-9-18-13(15-10)12-6-7-14-16-12/h1-7,9H,8H2
InChIKeyXOSKWDGOKNABPP-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.09
Rot. Bonds4

About 5-[4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole

5-[4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole (PubChem CID 2745395) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-[4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole
PubChem CID2745395
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name5-[4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole
SMILESc1ccc(SCc2csc(-c3ccno3)n2)cc1
InChIInChI=1S/C13H10N2OS2/c1-2-4-11(5-3-1)17-8-10-9-18-13(15-10)12-6-7-14-16-12/h1-7,9H,8H2
InChIKeyXOSKWDGOKNABPP-UHFFFAOYSA-N
XLogP4.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]isoxazole
CID 2745315
5-{4-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-2-yl}isoxazole
CID 2742520
5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole
CID 1479634
4-(2-Isoxazol-5-yl-1,3-thiazol-4-yl)benzonitrile
CID 2742518
5-[4-(3-Fluorophenyl)-1,3-thiazol-2-yl]isoxazole
CID 2742521
5-[4-(3-Methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 2742517
5-[4-(5-Chlorothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 2809465
5-[4-(2,4-Dimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 2742514
5-[4-(4-Methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 2742515
5-[4-[(4-Chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole
CID 2745396
5-[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 2742511
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 104665259

Frequently Asked Questions

What is the IUPAC name of 5-[4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The IUPAC name of 5-[4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole (CID 2745395) is 5-[4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole is c1ccc(SCc2csc(-c3ccno3)n2)cc1.
What is the InChIKey of 5-[4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole?
The InChIKey is XOSKWDGOKNABPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-2-4-11(5-3-1)17-8-10-9-18-13(15-10)12-6-7-14-16-12/h1-7,9H,8H2.
What are the key properties of 5-[4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole?
5-[4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole has a molecular weight of 274.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(phenylsulfanylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 2745395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).