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

C12H14N2O2S — CID 79193199

IUPAC4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
SMILESCc1nc2ccc(NC(=O)CCCO)cc2s1
InChIInChI=1S/C12H14N2O2S/c1-8-13-10-5-4-9(7-11(10)17-8)14-12(16)3-2-6-15/h4-5,7,15H,2-3,6H2,1H3,(H,14,16)
InChIKeyPXPSBNKHRBCUGC-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.32
Rot. Bonds4

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

4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide (PubChem CID 79193199) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
PubChem CID79193199
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
SMILESCc1nc2ccc(NC(=O)CCCO)cc2s1
InChIInChI=1S/C12H14N2O2S/c1-8-13-10-5-4-9(7-11(10)17-8)14-12(16)3-2-6-15/h4-5,7,15H,2-3,6H2,1H3,(H,14,16)
InChIKeyPXPSBNKHRBCUGC-UHFFFAOYSA-N
XLogP2.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
CID 119264601
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenoxybutanamide
CID 4800116
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 110443255
2-hydroxyethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate
CID 79346478
3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 9085555
1-(2-hydroxyethyl)-1-methyl-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 111431159
4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 18152915
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide
CID 2550244
N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide
CID 107801616
2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 64617382

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide?
The IUPAC name of 4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide (CID 79193199) is 4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide?
The canonical SMILES for 4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide is Cc1nc2ccc(NC(=O)CCCO)cc2s1.
What is the InChIKey of 4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide?
The InChIKey is PXPSBNKHRBCUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-8-13-10-5-4-9(7-11(10)17-8)14-12(16)3-2-6-15/h4-5,7,15H,2-3,6H2,1H3,(H,14,16).
What are the key properties of 4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide?
4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide has a molecular weight of 250.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide is sourced from PubChem (CID 79193199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).