(6S)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C14H16N2O2S — CID 2146412

IUPAC(6S)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCc1cc(NC(=O)c2csc3c2CC[C@H](C)C3)no1
InChIInChI=1S/C14H16N2O2S/c1-8-3-4-10-11(7-19-12(10)5-8)14(17)15-13-6-9(2)18-16-13/h6-8H,3-5H2,1-2H3,(H,15,16,17)/t8-/m0/s1
InChIKeyTZRAQDAPAWMLRS-QMMMGPOBSA-N
MW276.36 g/mol
LogP3.42
Rot. Bonds2

About (6S)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

(6S)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 2146412) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is (6S)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name(6S)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID2146412
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name(6S)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCc1cc(NC(=O)c2csc3c2CC[C@H](C)C3)no1
InChIInChI=1S/C14H16N2O2S/c1-8-3-4-10-11(7-19-12(10)5-8)14(17)15-13-6-9(2)18-16-13/h6-8H,3-5H2,1-2H3,(H,15,16,17)/t8-/m0/s1
InChIKeyTZRAQDAPAWMLRS-QMMMGPOBSA-N
XLogP3.42
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of (6S)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 2146412) is (6S)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for (6S)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for (6S)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is Cc1cc(NC(=O)c2csc3c2CC[C@H](C)C3)no1.
What is the InChIKey of (6S)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is TZRAQDAPAWMLRS-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-8-3-4-10-11(7-19-12(10)5-8)14(17)15-13-6-9(2)18-16-13/h6-8H,3-5H2,1-2H3,(H,15,16,17)/t8-/m0/s1.
What are the key properties of (6S)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
(6S)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 2146412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).