N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide

C15H15N3O2S2 — CID 97278275

IUPACN-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESC[C@@H](c1nccs1)N(C)C(=O)Cn1sc2ccccc2c1=O
InChIInChI=1S/C15H15N3O2S2/c1-10(14-16-7-8-21-14)17(2)13(19)9-18-15(20)11-5-3-4-6-12(11)22-18/h3-8,10H,9H2,1-2H3/t10-/m0/s1
InChIKeyPTZQXUGEWSCPOX-JTQLQIEISA-N
MW333.44 g/mol
LogP2.74
Rot. Bonds4

About N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide

N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 97278275) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID97278275
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC NameN-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESC[C@@H](c1nccs1)N(C)C(=O)Cn1sc2ccccc2c1=O
InChIInChI=1S/C15H15N3O2S2/c1-10(14-16-7-8-21-14)17(2)13(19)9-18-15(20)11-5-3-4-6-12(11)22-18/h3-8,10H,9H2,1-2H3/t10-/m0/s1
InChIKeyPTZQXUGEWSCPOX-JTQLQIEISA-N
XLogP2.74
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide 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

N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 97274468
N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 50966738
N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 71851650
2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 10003042
2-(3,3-dimethyl-2-oxobutyl)-1,2-benzothiazol-3-one
CID 138578978
N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 95121672
N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 95121673
(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 96555462
N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 46819114
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 30135418
N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 86829861
2-(3-oxo-1,2-benzothiazol-2-yl)ethanethioamide
CID 81434584

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide (CID 97278275) is N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide is C[C@@H](c1nccs1)N(C)C(=O)Cn1sc2ccccc2c1=O.
What is the InChIKey of N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is PTZQXUGEWSCPOX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-10(14-16-7-8-21-14)17(2)13(19)9-18-15(20)11-5-3-4-6-12(11)22-18/h3-8,10H,9H2,1-2H3/t10-/m0/s1.
What are the key properties of N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide?
N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 333.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 97278275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).