N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide

C16H14N2O2S — CID 51284522

IUPACN-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccccc1O)Nc1nc2ccccc2s1
InChIInChI=1S/C16H14N2O2S/c19-13-7-3-1-5-11(13)9-10-15(20)18-16-17-12-6-2-4-8-14(12)21-16/h1-8,19H,9-10H2,(H,17,18,20)
InChIKeyWRKAMJQFDSDKSX-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.57
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide

N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide (PubChem CID 51284522) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
PubChem CID51284522
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccccc1O)Nc1nc2ccccc2s1
InChIInChI=1S/C16H14N2O2S/c19-13-7-3-1-5-11(13)9-10-15(20)18-16-17-12-6-2-4-8-14(12)21-16/h1-8,19H,9-10H2,(H,17,18,20)
InChIKeyWRKAMJQFDSDKSX-UHFFFAOYSA-N
XLogP3.57
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 8571563
3-(4-aminophenyl)-N-(1,3-benzothiazol-2-yl)propanamide
CID 61037275
6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoate
CID 2063722
N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide
CID 79198900
N-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18134779
N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide
CID 53439401
N-(1,3-benzothiazol-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 8571614
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 33039912
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 24535645
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide (CID 51284522) is N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide is O=C(CCc1ccccc1O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide?
The InChIKey is WRKAMJQFDSDKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-13-7-3-1-5-11(13)9-10-15(20)18-16-17-12-6-2-4-8-14(12)21-16/h1-8,19H,9-10H2,(H,17,18,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide?
N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide has a molecular weight of 298.37 g/mol, XLogP of 3.57, 4 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)-3-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 51284522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).