2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide

C12H14FN3OS — CID 79144613

IUPAC2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc2ccc(F)cc2s1
InChIInChI=1S/C12H14FN3OS/c1-2-5-14-11(17)7-15-12-16-9-4-3-8(13)6-10(9)18-12/h3-4,6H,2,5,7H2,1H3,(H,14,17)(H,15,16)
InChIKeyTWIMFOPFESGANK-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.37
Rot. Bonds5

About 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide

2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide (PubChem CID 79144613) has the molecular formula C12H14FN3OS and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
PubChem CID79144613
Molecular FormulaC12H14FN3OS
Molecular Weight267.33 g/mol
Exact Mass267.08
IUPAC Name2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc2ccc(F)cc2s1
InChIInChI=1S/C12H14FN3OS/c1-2-5-14-11(17)7-15-12-16-9-4-3-8(13)6-10(9)18-12/h3-4,6H,2,5,7H2,1H3,(H,14,17)(H,15,16)
InChIKeyTWIMFOPFESGANK-UHFFFAOYSA-N
XLogP2.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
CID 79518268
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethylurea
CID 83115427
3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 79525880
4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82193008
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate
CID 83204723
N-(2,2-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 103462904
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 24625327
N',N'-diethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 79143470
1-(4-fluorophenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanone
CID 110825424
2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 61478157
2-[(6-fluoroquinazolin-4-yl)amino]-N-propylacetamide
CID 133383092
2-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244819

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide (CID 79144613) is 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1nc2ccc(F)cc2s1.
What is the InChIKey of 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide?
The InChIKey is TWIMFOPFESGANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3OS/c1-2-5-14-11(17)7-15-12-16-9-4-3-8(13)6-10(9)18-12/h3-4,6H,2,5,7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide?
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide has a molecular weight of 267.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide is sourced from PubChem (CID 79144613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).