N-(1-hydroxy-4-methylpentan-3-yl)-1,3-benzothiazole-6-carboxamide

C14H18N2O2S — CID 103782331

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-1,3-benzothiazole-6-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C14H18N2O2S/c1-9(2)11(5-6-17)16-14(18)10-3-4-12-13(7-10)19-8-15-12/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,16,18)
InChIKeyHLSNSEJJWUOOAA-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.43
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-3-yl)-1,3-benzothiazole-6-carboxamide

N-(1-hydroxy-4-methylpentan-3-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 103782331) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID103782331
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-1,3-benzothiazole-6-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C14H18N2O2S/c1-9(2)11(5-6-17)16-14(18)10-3-4-12-13(7-10)19-8-15-12/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,16,18)
InChIKeyHLSNSEJJWUOOAA-UHFFFAOYSA-N
XLogP2.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzothiazole-6-carbonylamino)butanoic acid
CID 43360749
N-(1-hydroxy-4-methylpentan-2-yl)-1,3-benzothiazole-6-carboxamide
CID 61245318
N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide
CID 4571608
2-[[2-(1,3-benzothiazole-6-carbonylamino)-3,3-dimethylbutanoyl]amino]propanoic acid
CID 78030802
N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 17474302
3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254979
(2R)-5-amino-2-(1,3-benzothiazole-6-carbonylamino)-5-oxopentanoic acid
CID 107829741
N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 112759028
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide
CID 103843357
N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide
CID 119616230
N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 114618628

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-1,3-benzothiazole-6-carboxamide (CID 103782331) is N-(1-hydroxy-4-methylpentan-3-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-1,3-benzothiazole-6-carboxamide is CC(C)C(CCO)NC(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is HLSNSEJJWUOOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9(2)11(5-6-17)16-14(18)10-3-4-12-13(7-10)19-8-15-12/h3-4,7-9,11,17H,5-6H2,1-2H3,(H,16,18).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-1,3-benzothiazole-6-carboxamide?
N-(1-hydroxy-4-methylpentan-3-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 103782331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).