5-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole

C10H12N2OS2 — CID 142070055

IUPAC5-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole
SMILESCCc1cnc(CSc2cnc(C)s2)o1
InChIInChI=1S/C10H12N2OS2/c1-3-8-4-12-9(13-8)6-14-10-5-11-7(2)15-10/h4-5H,3,6H2,1-2H3
InChIKeyUYVDNESAPCRKBB-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.29
Rot. Bonds4

About 5-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole

5-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole (PubChem CID 142070055) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole
PubChem CID142070055
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Name5-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole
SMILESCCc1cnc(CSc2cnc(C)s2)o1
InChIInChI=1S/C10H12N2OS2/c1-3-8-4-12-9(13-8)6-14-10-5-11-7(2)15-10/h4-5H,3,6H2,1-2H3
InChIKeyUYVDNESAPCRKBB-UHFFFAOYSA-N
XLogP3.29
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole?
The IUPAC name of 5-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole (CID 142070055) is 5-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 5-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 5-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole is CCc1cnc(CSc2cnc(C)s2)o1.
What is the InChIKey of 5-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole?
The InChIKey is UYVDNESAPCRKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-3-8-4-12-9(13-8)6-14-10-5-11-7(2)15-10/h4-5H,3,6H2,1-2H3.
What are the key properties of 5-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole?
5-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole has a molecular weight of 240.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 142070055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).