2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

C15H20FN3O2S — CID 111334134

IUPAC2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESCCN(CC(=O)Nc1nc2ccc(F)cc2s1)CC(C)(C)O
InChIInChI=1S/C15H20FN3O2S/c1-4-19(9-15(2,3)21)8-13(20)18-14-17-11-6-5-10(16)7-12(11)22-14/h5-7,21H,4,8-9H2,1-3H3,(H,17,18,20)
InChIKeyOBACKDKPHLYPGZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.47
Rot. Bonds6

About 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 111334134) has the molecular formula C15H20FN3O2S and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
PubChem CID111334134
Molecular FormulaC15H20FN3O2S
Molecular Weight325.41 g/mol
Exact Mass325.13
IUPAC Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESCCN(CC(=O)Nc1nc2ccc(F)cc2s1)CC(C)(C)O
InChIInChI=1S/C15H20FN3O2S/c1-4-19(9-15(2,3)21)8-13(20)18-14-17-11-6-5-10(16)7-12(11)22-14/h5-7,21H,4,8-9H2,1-3H3,(H,17,18,20)
InChIKeyOBACKDKPHLYPGZ-UHFFFAOYSA-N
XLogP2.47
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 86911557
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 78826947
2-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244819
N-(2-amino-5-fluorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384898
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-fluorophenyl)acetamide
CID 78962382
2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
CID 15754636
N',N'-diethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 79143470
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 24625327
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851
ethyl 2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate
CID 42982352
2-[ethyl(2-methylprop-2-enyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 112810877
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
CID 79144613

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide (CID 111334134) is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide is CCN(CC(=O)Nc1nc2ccc(F)cc2s1)CC(C)(C)O.
What is the InChIKey of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is OBACKDKPHLYPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2S/c1-4-19(9-15(2,3)21)8-13(20)18-14-17-11-6-5-10(16)7-12(11)22-14/h5-7,21H,4,8-9H2,1-3H3,(H,17,18,20).
What are the key properties of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 111334134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).