(4S)-2-[6-(dimethylamino)naphthalen-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C16H16N2O2S — CID 139251050

IUPAC(4S)-2-[6-(dimethylamino)naphthalen-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCN(C)c1ccc2cc(C3=N[C@@H](C(=O)O)CS3)ccc2c1
InChIInChI=1S/C16H16N2O2S/c1-18(2)13-6-5-10-7-12(4-3-11(10)8-13)15-17-14(9-21-15)16(19)20/h3-8,14H,9H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyYZBJGOSNMWOVKY-CQSZACIVSA-N
MW300.38 g/mol
LogP2.85
Rot. Bonds3

About (4S)-2-[6-(dimethylamino)naphthalen-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

(4S)-2-[6-(dimethylamino)naphthalen-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 139251050) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is (4S)-2-[6-(dimethylamino)naphthalen-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-[6-(dimethylamino)naphthalen-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID139251050
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name(4S)-2-[6-(dimethylamino)naphthalen-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCN(C)c1ccc2cc(C3=N[C@@H](C(=O)O)CS3)ccc2c1
InChIInChI=1S/C16H16N2O2S/c1-18(2)13-6-5-10-7-12(4-3-11(10)8-13)15-17-14(9-21-15)16(19)20/h3-8,14H,9H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyYZBJGOSNMWOVKY-CQSZACIVSA-N
XLogP2.85
TPSA52.90 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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-[6-(dimethylamino)naphthalen-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4S)-2-[6-(dimethylamino)naphthalen-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 139251050) is (4S)-2-[6-(dimethylamino)naphthalen-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4S)-2-[6-(dimethylamino)naphthalen-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4S)-2-[6-(dimethylamino)naphthalen-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid is CN(C)c1ccc2cc(C3=N[C@@H](C(=O)O)CS3)ccc2c1.
What is the InChIKey of (4S)-2-[6-(dimethylamino)naphthalen-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is YZBJGOSNMWOVKY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-18(2)13-6-5-10-7-12(4-3-11(10)8-13)15-17-14(9-21-15)16(19)20/h3-8,14H,9H2,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (4S)-2-[6-(dimethylamino)naphthalen-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
(4S)-2-[6-(dimethylamino)naphthalen-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 300.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[6-(dimethylamino)naphthalen-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 139251050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).