N-(5-chloro-2-pyridinyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide

C15H10ClN3O2S — CID 20943611

IUPACN-(5-chloro-2-pyridinyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1noc2c1CCc1sccc1-2
InChIInChI=1S/C15H10ClN3O2S/c16-8-1-4-12(17-7-8)18-15(20)13-10-2-3-11-9(5-6-22-11)14(10)21-19-13/h1,4-7H,2-3H2,(H,17,18,20)
InChIKeyWRTHEAMPTBPBCE-UHFFFAOYSA-N
MW331.78 g/mol
LogP3.80
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide

N-(5-chloro-2-pyridinyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (PubChem CID 20943611) has the molecular formula C15H10ClN3O2S and a molecular weight of 331.78 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
PubChem CID20943611
Molecular FormulaC15H10ClN3O2S
Molecular Weight331.78 g/mol
Exact Mass331.02
IUPAC NameN-(5-chloro-2-pyridinyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1noc2c1CCc1sccc1-2
InChIInChI=1S/C15H10ClN3O2S/c16-8-1-4-12(17-7-8)18-15(20)13-10-2-3-11-9(5-6-22-11)14(10)21-19-13/h1,4-7H,2-3H2,(H,17,18,20)
InChIKeyWRTHEAMPTBPBCE-UHFFFAOYSA-N
XLogP3.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide (CID 20943611) is N-(5-chloro-2-pyridinyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is O=C(Nc1ccc(Cl)cn1)c1noc2c1CCc1sccc1-2.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
The InChIKey is WRTHEAMPTBPBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2S/c16-8-1-4-12(17-7-8)18-15(20)13-10-2-3-11-9(5-6-22-11)14(10)21-19-13/h1,4-7H,2-3H2,(H,17,18,20).
What are the key properties of N-(5-chloro-2-pyridinyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide?
N-(5-chloro-2-pyridinyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide has a molecular weight of 331.78 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 20943611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).