5-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]thiophene-3-carboxamide

C15H16N2O2S — CID 75508171

IUPAC5-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]thiophene-3-carboxamide
SMILESCc1ccc2c(c1)OCCN2Cc1cc(C(N)=O)cs1
InChIInChI=1S/C15H16N2O2S/c1-10-2-3-13-14(6-10)19-5-4-17(13)8-12-7-11(9-20-12)15(16)18/h2-3,6-7,9H,4-5,8H2,1H3,(H2,16,18)
InChIKeyZTHZFFARQZCSNV-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.55
Rot. Bonds3

About 5-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]thiophene-3-carboxamide

5-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]thiophene-3-carboxamide (PubChem CID 75508171) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]thiophene-3-carboxamide
PubChem CID75508171
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name5-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]thiophene-3-carboxamide
SMILESCc1ccc2c(c1)OCCN2Cc1cc(C(N)=O)cs1
InChIInChI=1S/C15H16N2O2S/c1-10-2-3-13-14(6-10)19-5-4-17(13)8-12-7-11(9-20-12)15(16)18/h2-3,6-7,9H,4-5,8H2,1H3,(H2,16,18)
InChIKeyZTHZFFARQZCSNV-UHFFFAOYSA-N
XLogP2.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]thiophene-3-carboxamide (CID 75508171) is 5-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]thiophene-3-carboxamide is Cc1ccc2c(c1)OCCN2Cc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]thiophene-3-carboxamide?
The InChIKey is ZTHZFFARQZCSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-2-3-13-14(6-10)19-5-4-17(13)8-12-7-11(9-20-12)15(16)18/h2-3,6-7,9H,4-5,8H2,1H3,(H2,16,18).
What are the key properties of 5-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]thiophene-3-carboxamide?
5-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]thiophene-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 75508171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).