1,2-oxazole;1,3-oxazole;1,2-thiazole;2-(2H-triazol-4-yl)-1,3-thiazole

C14H13N7O2S2 — CID 67067529

IUPAC1,2-oxazole;1,3-oxazole;1,2-thiazole;2-(2H-triazol-4-yl)-1,3-thiazole
SMILESc1cnoc1.c1cnsc1.c1cocn1.c1csc(-c2cn[nH]n2)n1
InChIInChI=1S/C5H4N4S.2C3H3NO.C3H3NS/c1-2-10-5(6-1)4-3-7-9-8-4;1-2-5-3-4-1;2*1-2-4-5-3-1/h1-3H,(H,7,8,9);3*1-3H
InChIKeyBQNSMXRVZSCWJZ-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.42
Rot. Bonds1

About 1,2-oxazole;1,3-oxazole;1,2-thiazole;2-(2H-triazol-4-yl)-1,3-thiazole

1,2-oxazole;1,3-oxazole;1,2-thiazole;2-(2H-triazol-4-yl)-1,3-thiazole (PubChem CID 67067529) has the molecular formula C14H13N7O2S2 and a molecular weight of 375.44 g/mol. Its IUPAC name is 1,2-oxazole;1,3-oxazole;1,2-thiazole;2-(2H-triazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name1,2-oxazole;1,3-oxazole;1,2-thiazole;2-(2H-triazol-4-yl)-1,3-thiazole
PubChem CID67067529
Molecular FormulaC14H13N7O2S2
Molecular Weight375.44 g/mol
Exact Mass375.06
IUPAC Name1,2-oxazole;1,3-oxazole;1,2-thiazole;2-(2H-triazol-4-yl)-1,3-thiazole
SMILESc1cnoc1.c1cnsc1.c1cocn1.c1csc(-c2cn[nH]n2)n1
InChIInChI=1S/C5H4N4S.2C3H3NO.C3H3NS/c1-2-10-5(6-1)4-3-7-9-8-4;1-2-5-3-4-1;2*1-2-4-5-3-1/h1-3H,(H,7,8,9);3*1-3H
InChIKeyBQNSMXRVZSCWJZ-UHFFFAOYSA-N
XLogP3.42
TPSA119.41 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole;1,3-oxazole;1,2-thiazole;2-(2H-triazol-4-yl)-1,3-thiazole?
The IUPAC name of 1,2-oxazole;1,3-oxazole;1,2-thiazole;2-(2H-triazol-4-yl)-1,3-thiazole (CID 67067529) is 1,2-oxazole;1,3-oxazole;1,2-thiazole;2-(2H-triazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 1,2-oxazole;1,3-oxazole;1,2-thiazole;2-(2H-triazol-4-yl)-1,3-thiazole?
The canonical SMILES for 1,2-oxazole;1,3-oxazole;1,2-thiazole;2-(2H-triazol-4-yl)-1,3-thiazole is c1cnoc1.c1cnsc1.c1cocn1.c1csc(-c2cn[nH]n2)n1.
What is the InChIKey of 1,2-oxazole;1,3-oxazole;1,2-thiazole;2-(2H-triazol-4-yl)-1,3-thiazole?
The InChIKey is BQNSMXRVZSCWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4S.2C3H3NO.C3H3NS/c1-2-10-5(6-1)4-3-7-9-8-4;1-2-5-3-4-1;2*1-2-4-5-3-1/h1-3H,(H,7,8,9);3*1-3H.
What are the key properties of 1,2-oxazole;1,3-oxazole;1,2-thiazole;2-(2H-triazol-4-yl)-1,3-thiazole?
1,2-oxazole;1,3-oxazole;1,2-thiazole;2-(2H-triazol-4-yl)-1,3-thiazole has a molecular weight of 375.44 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole;1,3-oxazole;1,2-thiazole;2-(2H-triazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 67067529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).