2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole

C7H5ClN2OS2 — CID 106921258

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole
SMILESClc1ncc(CSc2ncco2)s1
InChIInChI=1S/C7H5ClN2OS2/c8-6-10-3-5(13-6)4-12-7-9-1-2-11-7/h1-3H,4H2
InChIKeyAKCWSYMJCXDGBQ-UHFFFAOYSA-N
MW232.72 g/mol
LogP3.08
Rot. Bonds3

About 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole

2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole (PubChem CID 106921258) has the molecular formula C7H5ClN2OS2 and a molecular weight of 232.72 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole
PubChem CID106921258
Molecular FormulaC7H5ClN2OS2
Molecular Weight232.72 g/mol
Exact Mass231.95
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole
SMILESClc1ncc(CSc2ncco2)s1
InChIInChI=1S/C7H5ClN2OS2/c8-6-10-3-5(13-6)4-12-7-9-1-2-11-7/h1-3H,4H2
InChIKeyAKCWSYMJCXDGBQ-UHFFFAOYSA-N
XLogP3.08
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.72
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole (CID 106921258) is 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole is Clc1ncc(CSc2ncco2)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole?
The InChIKey is AKCWSYMJCXDGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2OS2/c8-6-10-3-5(13-6)4-12-7-9-1-2-11-7/h1-3H,4H2.
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole?
2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole has a molecular weight of 232.72 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole is sourced from PubChem (CID 106921258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).