N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C15H9N3O3S2 — CID 38467487

IUPACN-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1csc(-c2cccs2)n1
InChIInChI=1S/C15H9N3O3S2/c19-13(10-7-23-14(17-10)12-2-1-5-22-12)16-8-3-4-11-9(6-8)18-15(20)21-11/h1-7H,(H,16,19)(H,18,20)
InChIKeyCWIVKJQLFQBPDY-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.56
Rot. Bonds3

About N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 38467487) has the molecular formula C15H9N3O3S2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID38467487
Molecular FormulaC15H9N3O3S2
Molecular Weight343.39 g/mol
Exact Mass343.01
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1csc(-c2cccs2)n1
InChIInChI=1S/C15H9N3O3S2/c19-13(10-7-23-14(17-10)12-2-1-5-22-12)16-8-3-4-11-9(6-8)18-15(20)21-11/h1-7H,(H,16,19)(H,18,20)
InChIKeyCWIVKJQLFQBPDY-UHFFFAOYSA-N
XLogP3.56
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 38467487) is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2oc(=O)[nH]c2c1)c1csc(-c2cccs2)n1.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is CWIVKJQLFQBPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O3S2/c19-13(10-7-23-14(17-10)12-2-1-5-22-12)16-8-3-4-11-9(6-8)18-15(20)21-11/h1-7H,(H,16,19)(H,18,20).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 38467487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).