5-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide

C16H16N2O2S — CID 164641582

IUPAC5-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)CCCC2=O)c1cncs1
InChIInChI=1S/C16H16N2O2S/c1-10(15-8-17-9-21-15)18-16(20)12-5-6-13-11(7-12)3-2-4-14(13)19/h5-10H,2-4H2,1H3,(H,18,20)/t10-/m0/s1
InChIKeyDWTXNSPLWNLDDV-JTQLQIEISA-N
MW300.38 g/mol
LogP3.15
Rot. Bonds3

About 5-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide

5-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide (PubChem CID 164641582) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide
PubChem CID164641582
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name5-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)CCCC2=O)c1cncs1
InChIInChI=1S/C16H16N2O2S/c1-10(15-8-17-9-21-15)18-16(20)12-5-6-13-11(7-12)3-2-4-14(13)19/h5-10H,2-4H2,1H3,(H,18,20)/t10-/m0/s1
InChIKeyDWTXNSPLWNLDDV-JTQLQIEISA-N
XLogP3.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide?
The IUPAC name of 5-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide (CID 164641582) is 5-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide.
What is the SMILES notation for 5-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide?
The canonical SMILES for 5-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide is C[C@H](NC(=O)c1ccc2c(c1)CCCC2=O)c1cncs1.
What is the InChIKey of 5-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide?
The InChIKey is DWTXNSPLWNLDDV-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10(15-8-17-9-21-15)18-16(20)12-5-6-13-11(7-12)3-2-4-14(13)19/h5-10H,2-4H2,1H3,(H,18,20)/t10-/m0/s1.
What are the key properties of 5-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide?
5-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide is sourced from PubChem (CID 164641582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).