2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide

C11H12FN3OS — CID 43311082

IUPAC2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1nc2cc(F)ccc2s1
InChIInChI=1S/C11H12FN3OS/c1-15(2)10(16)6-13-11-14-8-5-7(12)3-4-9(8)17-11/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyACARADUSNVEKLA-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.94
Rot. Bonds3

About 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide

2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide (PubChem CID 43311082) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide
PubChem CID43311082
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1nc2cc(F)ccc2s1
InChIInChI=1S/C11H12FN3OS/c1-15(2)10(16)6-13-11-14-8-5-7(12)3-4-9(8)17-11/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyACARADUSNVEKLA-UHFFFAOYSA-N
XLogP1.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate
CID 60810692
2-N-(5-fluoro-1,3-benzothiazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61478242
5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 62057975
2-[(7-chloro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide
CID 43311080
N,N-dimethyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]acetamide
CID 79146934
N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 43306392
N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 54937620
5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 63958238
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
CID 79144613
2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 61478157
5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
CID 106294883
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 43566520

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide (CID 43311082) is 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1nc2cc(F)ccc2s1.
What is the InChIKey of 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide?
The InChIKey is ACARADUSNVEKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-15(2)10(16)6-13-11-14-8-5-7(12)3-4-9(8)17-11/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide?
2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide has a molecular weight of 253.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 43311082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).