2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide

C16H13ClN2OS — CID 43091108

IUPAC2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
SMILESCc1nc2ccc(NC(=O)C(Cl)c3ccccc3)cc2s1
InChIInChI=1S/C16H13ClN2OS/c1-10-18-13-8-7-12(9-14(13)21-10)19-16(20)15(17)11-5-3-2-4-6-11/h2-9,15H,1H3,(H,19,20)
InChIKeyATHFAYWACFJVPY-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.52
Rot. Bonds3

About 2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide

2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide (PubChem CID 43091108) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
PubChem CID43091108
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
SMILESCc1nc2ccc(NC(=O)C(Cl)c3ccccc3)cc2s1
InChIInChI=1S/C16H13ClN2OS/c1-10-18-13-8-7-12(9-14(13)21-10)19-16(20)15(17)11-5-3-2-4-6-11/h2-9,15H,1H3,(H,19,20)
InChIKeyATHFAYWACFJVPY-UHFFFAOYSA-N
XLogP4.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 47300462
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
N-carbamoyl-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-phenylacetamide
CID 42912111
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide
CID 7741991
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
(2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide
CID 32736753
2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 116675268
1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 8853021
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 18089639

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide (CID 43091108) is 2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide is Cc1nc2ccc(NC(=O)C(Cl)c3ccccc3)cc2s1.
What is the InChIKey of 2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide?
The InChIKey is ATHFAYWACFJVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-10-18-13-8-7-12(9-14(13)21-10)19-16(20)15(17)11-5-3-2-4-6-11/h2-9,15H,1H3,(H,19,20).
What are the key properties of 2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide?
2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide has a molecular weight of 316.81 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide is sourced from PubChem (CID 43091108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).