N-benzyl-2-(4-hydroxy-2-methyl-1,3-benzothiazol-6-yl)acetamide

C17H16N2O2S — CID 165087662

IUPACN-benzyl-2-(4-hydroxy-2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2c(O)cc(CC(=O)NCc3ccccc3)cc2s1
InChIInChI=1S/C17H16N2O2S/c1-11-19-17-14(20)7-13(8-15(17)22-11)9-16(21)18-10-12-5-3-2-4-6-12/h2-8,20H,9-10H2,1H3,(H,18,21)
InChIKeyXZNDIZLEWNXVRY-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.17
Rot. Bonds4

About N-benzyl-2-(4-hydroxy-2-methyl-1,3-benzothiazol-6-yl)acetamide

N-benzyl-2-(4-hydroxy-2-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 165087662) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-benzyl-2-(4-hydroxy-2-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-hydroxy-2-methyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID165087662
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-benzyl-2-(4-hydroxy-2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCc1nc2c(O)cc(CC(=O)NCc3ccccc3)cc2s1
InChIInChI=1S/C17H16N2O2S/c1-11-19-17-14(20)7-13(8-15(17)22-11)9-16(21)18-10-12-5-3-2-4-6-12/h2-8,20H,9-10H2,1H3,(H,18,21)
InChIKeyXZNDIZLEWNXVRY-UHFFFAOYSA-N
XLogP3.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide
CID 3154693
N-benzyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2461104
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide
CID 46289632
N-benzyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
CID 6624557
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide
CID 9232883
2-[2-[2-(benzylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82155047
N-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide
CID 1069055
N-benzyl-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112520079
2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide
CID 17325456
N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 91573654
N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide
CID 63324909

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-hydroxy-2-methyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-hydroxy-2-methyl-1,3-benzothiazol-6-yl)acetamide (CID 165087662) is N-benzyl-2-(4-hydroxy-2-methyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-hydroxy-2-methyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-hydroxy-2-methyl-1,3-benzothiazol-6-yl)acetamide is Cc1nc2c(O)cc(CC(=O)NCc3ccccc3)cc2s1.
What is the InChIKey of N-benzyl-2-(4-hydroxy-2-methyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is XZNDIZLEWNXVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11-19-17-14(20)7-13(8-15(17)22-11)9-16(21)18-10-12-5-3-2-4-6-12/h2-8,20H,9-10H2,1H3,(H,18,21).
What are the key properties of N-benzyl-2-(4-hydroxy-2-methyl-1,3-benzothiazol-6-yl)acetamide?
N-benzyl-2-(4-hydroxy-2-methyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 312.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-hydroxy-2-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 165087662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).