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

C13H9ClN2OS2 — CID 2745396

IUPAC5-[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole
SMILESClc1ccc(SCc2csc(-c3ccno3)n2)cc1
InChIInChI=1S/C13H9ClN2OS2/c14-9-1-3-11(4-2-9)18-7-10-8-19-13(16-10)12-5-6-15-17-12/h1-6,8H,7H2
InChIKeyLRHIDMVYTAIMLB-UHFFFAOYSA-N
MW308.82 g/mol
LogP4.74
Rot. Bonds4

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

5-[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole (PubChem CID 2745396) has the molecular formula C13H9ClN2OS2 and a molecular weight of 308.82 g/mol. Its IUPAC name is 5-[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole
PubChem CID2745396
Molecular FormulaC13H9ClN2OS2
Molecular Weight308.82 g/mol
Exact Mass307.98
IUPAC Name5-[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole
SMILESClc1ccc(SCc2csc(-c3ccno3)n2)cc1
InChIInChI=1S/C13H9ClN2OS2/c14-9-1-3-11(4-2-9)18-7-10-8-19-13(16-10)12-5-6-15-17-12/h1-6,8H,7H2
InChIKeyLRHIDMVYTAIMLB-UHFFFAOYSA-N
XLogP4.74
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.82
LogP ≤ 54.74
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-(3-Fluorophenyl)-1,3-thiazol-2-yl]isoxazole
CID 2742521
5-[4-(5-Chlorothiophen-2-yl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 2809465
5-[4-(3,4-Dichlorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 2742510
5-[4-(4-Methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 2742515
5-[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 2742511
5-(2-Chloro-1,3-thiazol-4-yl)-1,2-oxazole
CID 89221403
5-(2-Methyl-1,3-thiazol-4-yl)-1,2-oxazole
CID 123668245
5-(4-Phenyl-1,3-thiazol-2-yl)-1,2-oxazole
CID 2745314
5-[4-(Phenylsulfanylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 2745395

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole?
The IUPAC name of 5-[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole (CID 2745396) is 5-[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole is Clc1ccc(SCc2csc(-c3ccno3)n2)cc1.
What is the InChIKey of 5-[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole?
The InChIKey is LRHIDMVYTAIMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS2/c14-9-1-3-11(4-2-9)18-7-10-8-19-13(16-10)12-5-6-15-17-12/h1-6,8H,7H2.
What are the key properties of 5-[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole?
5-[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole has a molecular weight of 308.82 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 2745396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).