2-(1,3-benzothiazol-2-yl)-1,3-oxazole;2-(1,3-thiazol-2-yl)-1,3-oxazole

C16H10N4O2S2 — CID 174622926

IUPAC2-(1,3-benzothiazol-2-yl)-1,3-oxazole;2-(1,3-thiazol-2-yl)-1,3-oxazole
SMILESc1ccc2sc(-c3ncco3)nc2c1.c1coc(-c2nccs2)n1
InChIInChI=1S/C10H6N2OS.C6H4N2OS/c1-2-4-8-7(3-1)12-10(14-8)9-11-5-6-13-9;1-3-9-5(7-1)6-8-2-4-10-6/h1-6H;1-4H
InChIKeyHZIJZFFDBCOVRT-UHFFFAOYSA-N
MW354.42 g/mol
LogP4.75
Rot. Bonds2

About 2-(1,3-benzothiazol-2-yl)-1,3-oxazole;2-(1,3-thiazol-2-yl)-1,3-oxazole

2-(1,3-benzothiazol-2-yl)-1,3-oxazole;2-(1,3-thiazol-2-yl)-1,3-oxazole (PubChem CID 174622926) has the molecular formula C16H10N4O2S2 and a molecular weight of 354.42 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1,3-oxazole;2-(1,3-thiazol-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1,3-oxazole;2-(1,3-thiazol-2-yl)-1,3-oxazole
PubChem CID174622926
Molecular FormulaC16H10N4O2S2
Molecular Weight354.42 g/mol
Exact Mass354.02
IUPAC Name2-(1,3-benzothiazol-2-yl)-1,3-oxazole;2-(1,3-thiazol-2-yl)-1,3-oxazole
SMILESc1ccc2sc(-c3ncco3)nc2c1.c1coc(-c2nccs2)n1
InChIInChI=1S/C10H6N2OS.C6H4N2OS/c1-2-4-8-7(3-1)12-10(14-8)9-11-5-6-13-9;1-3-9-5(7-1)6-8-2-4-10-6/h1-6H;1-4H
InChIKeyHZIJZFFDBCOVRT-UHFFFAOYSA-N
XLogP4.75
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1,3-oxazole;2-(1,3-thiazol-2-yl)-1,3-oxazole?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1,3-oxazole;2-(1,3-thiazol-2-yl)-1,3-oxazole (CID 174622926) is 2-(1,3-benzothiazol-2-yl)-1,3-oxazole;2-(1,3-thiazol-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1,3-oxazole;2-(1,3-thiazol-2-yl)-1,3-oxazole?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1,3-oxazole;2-(1,3-thiazol-2-yl)-1,3-oxazole is c1ccc2sc(-c3ncco3)nc2c1.c1coc(-c2nccs2)n1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1,3-oxazole;2-(1,3-thiazol-2-yl)-1,3-oxazole?
The InChIKey is HZIJZFFDBCOVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2OS.C6H4N2OS/c1-2-4-8-7(3-1)12-10(14-8)9-11-5-6-13-9;1-3-9-5(7-1)6-8-2-4-10-6/h1-6H;1-4H.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1,3-oxazole;2-(1,3-thiazol-2-yl)-1,3-oxazole?
2-(1,3-benzothiazol-2-yl)-1,3-oxazole;2-(1,3-thiazol-2-yl)-1,3-oxazole has a molecular weight of 354.42 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1,3-oxazole;2-(1,3-thiazol-2-yl)-1,3-oxazole is sourced from PubChem (CID 174622926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).