N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide

C12H8N2O2S — CID 110728841

IUPACN-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2ncoc2c1)c1cccs1
InChIInChI=1S/C12H8N2O2S/c15-12(11-2-1-5-17-11)14-8-3-4-9-10(6-8)16-7-13-9/h1-7H,(H,14,15)
InChIKeyITFJKRHPYFYSBX-UHFFFAOYSA-N
MW244.28 g/mol
LogP3.14
Rot. Bonds2

About N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide

N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide (PubChem CID 110728841) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide
PubChem CID110728841
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC NameN-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2ncoc2c1)c1cccs1
InChIInChI=1S/C12H8N2O2S/c15-12(11-2-1-5-17-11)14-8-3-4-9-10(6-8)16-7-13-9/h1-7H,(H,14,15)
InChIKeyITFJKRHPYFYSBX-UHFFFAOYSA-N
XLogP3.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylquinoxalin-6-yl)thiophene-2-carboxamide
CID 110723801
1,3-benzoxazol-6-ylcarbamic acid
CID 115170663
N-(6-acetamido-1,3-benzoxazol-2-yl)thiophene-2-carboxamide
CID 953622
N-(1,3-benzoxazol-6-yl)-1-cyanoformamide
CID 115171898
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide
CID 110728878
N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide
CID 123632210
N-(1,3-benzoxazol-6-yl)-5-chloro-2-hydroxybenzamide
CID 175430925
methyl 4-(1,3-benzoxazol-6-ylamino)-4-oxobutanoate
CID 110728836
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55863771
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide (CID 110728841) is N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide is O=C(Nc1ccc2ncoc2c1)c1cccs1.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide?
The InChIKey is ITFJKRHPYFYSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c15-12(11-2-1-5-17-11)14-8-3-4-9-10(6-8)16-7-13-9/h1-7H,(H,14,15).
What are the key properties of N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide?
N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide has a molecular weight of 244.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 110728841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).