N-(1-hydroxy-4-methylpentan-2-yl)-1,3-benzothiazole-6-carboxamide

C14H18N2O2S — CID 61245318

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

About N-(1-hydroxy-4-methylpentan-2-yl)-1,3-benzothiazole-6-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 61245318) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID61245318
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C14H18N2O2S/c1-9(2)5-11(7-17)16-14(18)10-3-4-12-13(6-10)19-8-15-12/h3-4,6,8-9,11,17H,5,7H2,1-2H3,(H,16,18)
InChIKeyOKKPVOZIXKQPOU-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

Analyze N-(1-hydroxy-4-methylpentan-2-yl)-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-benzothiazole-6-carbonylamino)butanoic acid
CID 43360749
N-(1-hydroxy-4-methylpentan-3-yl)-1,3-benzothiazole-6-carboxamide
CID 103782331
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
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-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide
CID 119616230
N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 17474302
3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61240501
4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 81295056
N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 112759028
4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 103957663
4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246765

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1,3-benzothiazole-6-carboxamide (CID 61245318) is N-(1-hydroxy-4-methylpentan-2-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-1,3-benzothiazole-6-carboxamide is CC(C)CC(CO)NC(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is OKKPVOZIXKQPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9(2)5-11(7-17)16-14(18)10-3-4-12-13(6-10)19-8-15-12/h3-4,6,8-9,11,17H,5,7H2,1-2H3,(H,16,18).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-1,3-benzothiazole-6-carboxamide?
N-(1-hydroxy-4-methylpentan-2-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-2-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 61245318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).