N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide

C11H12N2O2S — CID 103429378

IUPACN-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C11H12N2O2S/c1-11(2,15)9(14)13-10-12-7-5-3-4-6-8(7)16-10/h3-6,15H,1-2H3,(H,12,13,14)
InChIKeyNOKCNSLOXWIQCK-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.01
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide

N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide (PubChem CID 103429378) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide
PubChem CID103429378
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C11H12N2O2S/c1-11(2,15)9(14)13-10-12-7-5-3-4-6-8(7)16-10/h3-6,15H,1-2H3,(H,12,13,14)
InChIKeyNOKCNSLOXWIQCK-UHFFFAOYSA-N
XLogP2.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzothiazol-2-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82813676
2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 60846825
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
N-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 59232931
N-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547309
N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide
CID 110439547
2-(1,3-benzothiazol-2-ylcarbamoylamino)-2-methylpropanoic acid
CID 61264574
N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
N-(1,3-benzothiazol-2-yl)-2-ethylsulfanyl-2-methyl-3-oxopentanamide
CID 54105241
1-(1,3-benzothiazol-2-yl)-3-methylurea;molecular hydrogen
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N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide (CID 103429378) is N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide is CC(C)(O)C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide?
The InChIKey is NOKCNSLOXWIQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-11(2,15)9(14)13-10-12-7-5-3-4-6-8(7)16-10/h3-6,15H,1-2H3,(H,12,13,14).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide?
N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide has a molecular weight of 236.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 103429378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).