2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide

C11H12ClN3OS — CID 43566527

IUPAC2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C11H12ClN3OS/c1-2-13-10(16)6-14-11-15-8-5-7(12)3-4-9(8)17-11/h3-5H,2,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyPQNZWFHHGZXOFO-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.50
Rot. Bonds4

About 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide

2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide (PubChem CID 43566527) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide
PubChem CID43566527
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C11H12ClN3OS/c1-2-13-10(16)6-14-11-15-8-5-7(12)3-4-9(8)17-11/h3-5H,2,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyPQNZWFHHGZXOFO-UHFFFAOYSA-N
XLogP2.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide 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

2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide
CID 43306475
3-[2-[(5-chloro-1,3-benzothiazol-2-yl)amino]ethyl]-1,1-dimethylurea
CID 83114642
3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 79525880
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906846
ethyl 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]propanoate
CID 54960138
5-chloro-N-(2-methylpentan-2-yl)-1,3-benzothiazol-2-amine
CID 113471870
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119698358
N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine
CID 54937658
methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate
CID 79475132
2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide
CID 113219085
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
CID 79144613
2-(2-amino-4-chloroanilino)-N-ethylacetamide
CID 43566811

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide?
The IUPAC name of 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide (CID 43566527) is 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide is CCNC(=O)CNc1nc2cc(Cl)ccc2s1.
What is the InChIKey of 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide?
The InChIKey is PQNZWFHHGZXOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-2-13-10(16)6-14-11-15-8-5-7(12)3-4-9(8)17-11/h3-5H,2,6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide?
2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide has a molecular weight of 269.76 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide is sourced from PubChem (CID 43566527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).