N-[6-(1-hydroxypentan-3-yl)-1,3-benzothiazol-2-yl]acetamide

C14H18N2O2S — CID 87958052

IUPACN-[6-(1-hydroxypentan-3-yl)-1,3-benzothiazol-2-yl]acetamide
SMILESCCC(CCO)c1ccc2nc(NC(C)=O)sc2c1
InChIInChI=1S/C14H18N2O2S/c1-3-10(6-7-17)11-4-5-12-13(8-11)19-14(16-12)15-9(2)18/h4-5,8,10,17H,3,6-7H2,1-2H3,(H,15,16,18)
InChIKeyCUFYFKUVLDRULZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.13
Rot. Bonds5

About N-[6-(1-hydroxypentan-3-yl)-1,3-benzothiazol-2-yl]acetamide

N-[6-(1-hydroxypentan-3-yl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 87958052) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[6-(1-hydroxypentan-3-yl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(1-hydroxypentan-3-yl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID87958052
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[6-(1-hydroxypentan-3-yl)-1,3-benzothiazol-2-yl]acetamide
SMILESCCC(CCO)c1ccc2nc(NC(C)=O)sc2c1
InChIInChI=1S/C14H18N2O2S/c1-3-10(6-7-17)11-4-5-12-13(8-11)19-14(16-12)15-9(2)18/h4-5,8,10,17H,3,6-7H2,1-2H3,(H,15,16,18)
InChIKeyCUFYFKUVLDRULZ-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[6-[(2S)-butan-2-yl]-1,3-benzothiazol-2-yl]-2-chloropropanamide
CID 28662068
2-(2-methyl-1,3-benzothiazol-6-yl)butan-1-ol
CID 116994009
3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 43989546
2-acetamido-1,3-benzothiazole-6-carboxamide
CID 816956
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 53269183
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 53269216
3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 55485822
N-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten
CID 59896475
(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 681042
2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 60852655
6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine
CID 89039662

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-hydroxypentan-3-yl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-(1-hydroxypentan-3-yl)-1,3-benzothiazol-2-yl]acetamide (CID 87958052) is N-[6-(1-hydroxypentan-3-yl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-(1-hydroxypentan-3-yl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-(1-hydroxypentan-3-yl)-1,3-benzothiazol-2-yl]acetamide is CCC(CCO)c1ccc2nc(NC(C)=O)sc2c1.
What is the InChIKey of N-[6-(1-hydroxypentan-3-yl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is CUFYFKUVLDRULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-10(6-7-17)11-4-5-12-13(8-11)19-14(16-12)15-9(2)18/h4-5,8,10,17H,3,6-7H2,1-2H3,(H,15,16,18).
What are the key properties of N-[6-(1-hydroxypentan-3-yl)-1,3-benzothiazol-2-yl]acetamide?
N-[6-(1-hydroxypentan-3-yl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 278.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-hydroxypentan-3-yl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 87958052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).