N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide

C18H19N3OS — CID 2377381

IUPACN-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C18H19N3OS/c1-21(2)15(13-8-4-3-5-9-13)12-19-17(22)18-20-14-10-6-7-11-16(14)23-18/h3-11,15H,12H2,1-2H3,(H,19,22)/t15-/m1/s1
InChIKeyQPZVOLNOWZGVHB-OAHLLOKOSA-N
MW325.44 g/mol
LogP3.33
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 2377381) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide
PubChem CID2377381
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C18H19N3OS/c1-21(2)15(13-8-4-3-5-9-13)12-19-17(22)18-20-14-10-6-7-11-16(14)23-18/h3-11,15H,12H2,1-2H3,(H,19,22)/t15-/m1/s1
InChIKeyQPZVOLNOWZGVHB-OAHLLOKOSA-N
XLogP3.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-2-(1,3-benzothiazole-2-carbonylamino)-1-phenylethyl]-dimethylazanium
CID 2377380
4-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]butanamide
CID 3936263
N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide
CID 90496484
3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]-4,4,4-trifluoro-3-hydroxybutanamide
CID 112808967
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
N-[2-(dimethylamino)-2-phenylethyl]-2-phenylbenzamide
CID 17461099
3-amino-N-[2-(dimethylamino)-2-phenylethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794723
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-1,3-benzothiazole-2-carboxamide
CID 119099543
N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyridine-4-carboxamide
CID 32730765
2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid
CID 110488490
N-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide
CID 110488503
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide
CID 43011852

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide (CID 2377381) is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide is CN(C)[C@H](CNC(=O)c1nc2ccccc2s1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is QPZVOLNOWZGVHB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-21(2)15(13-8-4-3-5-9-13)12-19-17(22)18-20-14-10-6-7-11-16(14)23-18/h3-11,15H,12H2,1-2H3,(H,19,22)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide?
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 2377381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).