N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C19H24N2O2S — CID 126835263

IUPACN-[(2S)-1-hydroxypropan-2-yl]-N-methyl-2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESC[C@@H](CO)N(C)C(=O)Cc1nc2c(s1)CC(c1ccccc1)CC2
InChIInChI=1S/C19H24N2O2S/c1-13(12-22)21(2)19(23)11-18-20-16-9-8-15(10-17(16)24-18)14-6-4-3-5-7-14/h3-7,13,15,22H,8-12H2,1-2H3/t13-,15?/m0/s1
InChIKeyYDQLDFYBWXYMEX-CFMCSPIPSA-N
MW344.48 g/mol
LogP2.80
Rot. Bonds5

About N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 126835263) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-N-methyl-2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID126835263
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-N-methyl-2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESC[C@@H](CO)N(C)C(=O)Cc1nc2c(s1)CC(c1ccccc1)CC2
InChIInChI=1S/C19H24N2O2S/c1-13(12-22)21(2)19(23)11-18-20-16-9-8-15(10-17(16)24-18)14-6-4-3-5-7-14/h3-7,13,15,22H,8-12H2,1-2H3/t13-,15?/m0/s1
InChIKeyYDQLDFYBWXYMEX-CFMCSPIPSA-N
XLogP2.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 126835263) is N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is C[C@@H](CO)N(C)C(=O)Cc1nc2c(s1)CC(c1ccccc1)CC2.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is YDQLDFYBWXYMEX-CFMCSPIPSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13(12-22)21(2)19(23)11-18-20-16-9-8-15(10-17(16)24-18)14-6-4-3-5-7-14/h3-7,13,15,22H,8-12H2,1-2H3/t13-,15?/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 344.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 126835263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).