(2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-(dimethylamino)acetamide

C19H20ClN3OS — CID 51592458

IUPAC(2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-(dimethylamino)acetamide
SMILESC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)N(C)C)c1nc2ccccc2s1
InChIInChI=1S/C19H20ClN3OS/c1-12(19-22-15-6-4-5-7-16(15)25-19)21-18(24)17(23(2)3)13-8-10-14(20)11-9-13/h4-12,17H,1-3H3,(H,21,24)/t12-,17+/m1/s1
InChIKeyVFOWKFCUTDVYIE-PXAZEXFGSA-N
MW373.91 g/mol
LogP4.43
Rot. Bonds5

About (2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-(dimethylamino)acetamide

(2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-(dimethylamino)acetamide (PubChem CID 51592458) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-(dimethylamino)acetamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-(dimethylamino)acetamide
PubChem CID51592458
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC Name(2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-(dimethylamino)acetamide
SMILESC[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)N(C)C)c1nc2ccccc2s1
InChIInChI=1S/C19H20ClN3OS/c1-12(19-22-15-6-4-5-7-16(15)25-19)21-18(24)17(23(2)3)13-8-10-14(20)11-9-13/h4-12,17H,1-3H3,(H,21,24)/t12-,17+/m1/s1
InChIKeyVFOWKFCUTDVYIE-PXAZEXFGSA-N
XLogP4.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-(dimethylamino)acetamide with MolForge

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Related Compounds

(2S)-2-amino-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-methylbutanamide
CID 18664320
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide
CID 94044935
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-methylacetamide
CID 8636530
(2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-N,3-dimethylbutanamide
CID 9406493
(2R)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-N,3-dimethylbutanamide
CID 9406494
2-(dimethylamino)-2-phenyl-N-(1-phenylethyl)acetamide
CID 47839311
[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8636536
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N,N-dimethylacetamide
CID 43215005
2-[1-(1,3-benzothiazol-2-yl)ethylamino]propanamide
CID 43545365
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-dichloroaniline
CID 43082359
2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide
CID 112672683
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-(2-ethylimidazol-1-yl)-2-methylpropanamide
CID 46957176

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-(dimethylamino)acetamide?
The IUPAC name of (2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-(dimethylamino)acetamide (CID 51592458) is (2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-(dimethylamino)acetamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-(dimethylamino)acetamide?
The canonical SMILES for (2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-(dimethylamino)acetamide is C[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)N(C)C)c1nc2ccccc2s1.
What is the InChIKey of (2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-(dimethylamino)acetamide?
The InChIKey is VFOWKFCUTDVYIE-PXAZEXFGSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c1-12(19-22-15-6-4-5-7-16(15)25-19)21-18(24)17(23(2)3)13-8-10-14(20)11-9-13/h4-12,17H,1-3H3,(H,21,24)/t12-,17+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-(dimethylamino)acetamide?
(2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-(dimethylamino)acetamide has a molecular weight of 373.91 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-chlorophenyl)-2-(dimethylamino)acetamide is sourced from PubChem (CID 51592458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).