2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide

C11H12ClN3OS — CID 43311080

IUPAC2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1nc2cccc(Cl)c2s1
InChIInChI=1S/C11H12ClN3OS/c1-15(2)9(16)6-13-11-14-8-5-3-4-7(12)10(8)17-11/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyHYUSLDMNXPGJSM-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.45
Rot. Bonds3

About 2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide

2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide (PubChem CID 43311080) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide
PubChem CID43311080
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1nc2cccc(Cl)c2s1
InChIInChI=1S/C11H12ClN3OS/c1-15(2)9(16)6-13-11-14-8-5-3-4-7(12)10(8)17-11/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyHYUSLDMNXPGJSM-UHFFFAOYSA-N
XLogP2.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide (CID 43311080) is 2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1nc2cccc(Cl)c2s1.
What is the InChIKey of 2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide?
The InChIKey is HYUSLDMNXPGJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-15(2)9(16)6-13-11-14-8-5-3-4-7(12)10(8)17-11/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide?
2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide has a molecular weight of 269.76 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 43311080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).